(Z)-4-amino-2-imino-3-methylhex-3-enal

C7H12N2O — CID 155470710

IUPAC(Z)-4-amino-2-imino-3-methylhex-3-enal
SMILES[H]/N=C(C=O)/C(C)=C(\N)CC
InChIInChI=1S/C7H12N2O/c1-3-6(8)5(2)7(9)4-10/h4,9H,3,8H2,1-2H3/b6-5-,9-7+
InChIKeyPKPOCVNIYBJHRD-BZWSEGBZSA-N
MW140.19 g/mol
LogP0.85
Rot. Bonds3

About (Z)-4-amino-2-imino-3-methylhex-3-enal

(Z)-4-amino-2-imino-3-methylhex-3-enal (PubChem CID 155470710) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (Z)-4-amino-2-imino-3-methylhex-3-enal.

Molecular Properties

Compound Name(Z)-4-amino-2-imino-3-methylhex-3-enal
PubChem CID155470710
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(Z)-4-amino-2-imino-3-methylhex-3-enal
SMILES[H]/N=C(C=O)/C(C)=C(\N)CC
InChIInChI=1S/C7H12N2O/c1-3-6(8)5(2)7(9)4-10/h4,9H,3,8H2,1-2H3/b6-5-,9-7+
InChIKeyPKPOCVNIYBJHRD-BZWSEGBZSA-N
XLogP0.85
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-2-imino-3-methylhex-3-enal?
The IUPAC name of (Z)-4-amino-2-imino-3-methylhex-3-enal (CID 155470710) is (Z)-4-amino-2-imino-3-methylhex-3-enal.
What is the SMILES notation for (Z)-4-amino-2-imino-3-methylhex-3-enal?
The canonical SMILES for (Z)-4-amino-2-imino-3-methylhex-3-enal is [H]/N=C(C=O)/C(C)=C(\N)CC.
What is the InChIKey of (Z)-4-amino-2-imino-3-methylhex-3-enal?
The InChIKey is PKPOCVNIYBJHRD-BZWSEGBZSA-N. The full InChI is InChI=1S/C7H12N2O/c1-3-6(8)5(2)7(9)4-10/h4,9H,3,8H2,1-2H3/b6-5-,9-7+.
What are the key properties of (Z)-4-amino-2-imino-3-methylhex-3-enal?
(Z)-4-amino-2-imino-3-methylhex-3-enal has a molecular weight of 140.19 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-imino-3-methylhex-3-enal is sourced from PubChem (CID 155470710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).