(E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane

C10H17N3 — CID 176961982

IUPAC(E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane
SMILESCC.[H]/N=C/C(C#N)=C(\N)C1(C)CC1
InChIInChI=1S/C8H11N3.C2H6/c1-8(2-3-8)7(11)6(4-9)5-10;1-2/h4,9H,2-3,11H2,1H3;1-2H3/b7-6+,9-4+;
InChIKeyFGFDFJDHPUPNOB-NCWKRULSSA-N
MW179.27 g/mol
LogP2.20
Rot. Bonds2

About (E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane

(E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane (PubChem CID 176961982) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane.

Molecular Properties

Compound Name(E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane
PubChem CID176961982
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane
SMILESCC.[H]/N=C/C(C#N)=C(\N)C1(C)CC1
InChIInChI=1S/C8H11N3.C2H6/c1-8(2-3-8)7(11)6(4-9)5-10;1-2/h4,9H,2-3,11H2,1H3;1-2H3/b7-6+,9-4+;
InChIKeyFGFDFJDHPUPNOB-NCWKRULSSA-N
XLogP2.20
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane?
The IUPAC name of (E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane (CID 176961982) is (E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane.
What is the SMILES notation for (E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane?
The canonical SMILES for (E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane is CC.[H]/N=C/C(C#N)=C(\N)C1(C)CC1.
What is the InChIKey of (E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane?
The InChIKey is FGFDFJDHPUPNOB-NCWKRULSSA-N. The full InChI is InChI=1S/C8H11N3.C2H6/c1-8(2-3-8)7(11)6(4-9)5-10;1-2/h4,9H,2-3,11H2,1H3;1-2H3/b7-6+,9-4+;.
What are the key properties of (E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane?
(E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane has a molecular weight of 179.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-methanimidoyl-3-(1-methylcyclopropyl)prop-2-enenitrile;ethane is sourced from PubChem (CID 176961982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).