N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide

C11H15N3O — CID 88930424

IUPACN-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide
SMILESC=CC1=CC(C)NC(=C)/C1=C\N(N)C=O
InChIInChI=1S/C11H15N3O/c1-4-10-5-8(2)13-9(3)11(10)6-14(12)7-15/h4-8,13H,1,3,12H2,2H3/b11-6+
InChIKeyMDMLXJFEJICSFN-IZZDOVSWSA-N
MW205.26 g/mol
LogP0.82
Rot. Bonds3

About N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide

N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide (PubChem CID 88930424) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide.

Molecular Properties

Compound NameN-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide
PubChem CID88930424
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide
SMILESC=CC1=CC(C)NC(=C)/C1=C\N(N)C=O
InChIInChI=1S/C11H15N3O/c1-4-10-5-8(2)13-9(3)11(10)6-14(12)7-15/h4-8,13H,1,3,12H2,2H3/b11-6+
InChIKeyMDMLXJFEJICSFN-IZZDOVSWSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(6-methyl-4-methylidene-1H-pyridin-3-yl)methyl]formamide
CID 57194411

Frequently Asked Questions

What is the IUPAC name of N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide?
The IUPAC name of N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide (CID 88930424) is N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide.
What is the SMILES notation for N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide?
The canonical SMILES for N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide is C=CC1=CC(C)NC(=C)/C1=C\N(N)C=O.
What is the InChIKey of N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide?
The InChIKey is MDMLXJFEJICSFN-IZZDOVSWSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-10-5-8(2)13-9(3)11(10)6-14(12)7-15/h4-8,13H,1,3,12H2,2H3/b11-6+.
What are the key properties of N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide?
N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide has a molecular weight of 205.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-[(Z)-(4-ethenyl-2-methyl-6-methylidene-1,2-dihydropyridin-5-ylidene)methyl]formamide is sourced from PubChem (CID 88930424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).