N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane

C30H55N9O4 — CID 143630936

IUPACN-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane
SMILESC=C(O)N1Cc2ccccc2C1.C=CCC(NC=O)C(=O)N/C(=N/N)NN.CC.CC(C)C.CC1CCCN1C(=O)CN
InChIInChI=1S/C10H11NO.C7H14N6O2.C7H14N2O.C4H10.C2H6/c1-8(12)11-6-9-4-2-3-5-10(9)7-11;1-2-3-5(10-4-14)6(15)11-7(12-8)13-9;1-6-3-2-4-9(6)7(10)5-8;1-4(2)3;1-2/h2-5,12H,1,6-7H2;2,4-5H,1,3,8-9H2,(H,10,14)(H2,11,12,13,15);6H,2-5,8H2,1H3;4H,1-3H3;1-2H3
InChIKeyZKQKKYGDSJNYSZ-UHFFFAOYSA-N
MW605.83 g/mol
LogP2.16
Rot. Bonds7

About N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane

N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane (PubChem CID 143630936) has the molecular formula C30H55N9O4 and a molecular weight of 605.83 g/mol. Its IUPAC name is N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane.

Molecular Properties

Compound NameN-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane
PubChem CID143630936
Molecular FormulaC30H55N9O4
Molecular Weight605.83 g/mol
Exact Mass605.44
IUPAC NameN-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane
SMILESC=C(O)N1Cc2ccccc2C1.C=CCC(NC=O)C(=O)N/C(=N/N)NN.CC.CC(C)C.CC1CCCN1C(=O)CN
InChIInChI=1S/C10H11NO.C7H14N6O2.C7H14N2O.C4H10.C2H6/c1-8(12)11-6-9-4-2-3-5-10(9)7-11;1-2-3-5(10-4-14)6(15)11-7(12-8)13-9;1-6-3-2-4-9(6)7(10)5-8;1-4(2)3;1-2/h2-5,12H,1,6-7H2;2,4-5H,1,3,8-9H2,(H,10,14)(H2,11,12,13,15);6H,2-5,8H2,1H3;4H,1-3H3;1-2H3
InChIKeyZKQKKYGDSJNYSZ-UHFFFAOYSA-N
XLogP2.16
TPSA204.43 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.83
LogP ≤ 52.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane?
The IUPAC name of N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane (CID 143630936) is N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane.
What is the SMILES notation for N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane?
The canonical SMILES for N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane is C=C(O)N1Cc2ccccc2C1.C=CCC(NC=O)C(=O)N/C(=N/N)NN.CC.CC(C)C.CC1CCCN1C(=O)CN.
What is the InChIKey of N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane?
The InChIKey is ZKQKKYGDSJNYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C7H14N6O2.C7H14N2O.C4H10.C2H6/c1-8(12)11-6-9-4-2-3-5-10(9)7-11;1-2-3-5(10-4-14)6(15)11-7(12-8)13-9;1-6-3-2-4-9(6)7(10)5-8;1-4(2)3;1-2/h2-5,12H,1,6-7H2;2,4-5H,1,3,8-9H2,(H,10,14)(H2,11,12,13,15);6H,2-5,8H2,1H3;4H,1-3H3;1-2H3.
What are the key properties of N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane?
N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane has a molecular weight of 605.83 g/mol, XLogP of 2.16, 7 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-N-aminocarbamohydrazonoyl]-2-formamidopent-4-enamide;2-amino-1-(2-methylpyrrolidin-1-yl)ethanone;1-(1,3-dihydroisoindol-2-yl)ethenol;ethane;2-methylpropane is sourced from PubChem (CID 143630936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).