(Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide

C9H14N2O — CID 134479515

IUPAC(Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide
SMILES[H]/N=C(\C=C/C)C(=O)NCC1CC1
InChIInChI=1S/C9H14N2O/c1-2-3-8(10)9(12)11-6-7-4-5-7/h2-3,7,10H,4-6H2,1H3,(H,11,12)/b3-2-,10-8+
InChIKeyUSMJKQOVVBQUBL-QQOOZTEWSA-N
MW166.22 g/mol
LogP1.11
Rot. Bonds4

About (Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide

(Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide (PubChem CID 134479515) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide.

Molecular Properties

Compound Name(Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide
PubChem CID134479515
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide
SMILES[H]/N=C(\C=C/C)C(=O)NCC1CC1
InChIInChI=1S/C9H14N2O/c1-2-3-8(10)9(12)11-6-7-4-5-7/h2-3,7,10H,4-6H2,1H3,(H,11,12)/b3-2-,10-8+
InChIKeyUSMJKQOVVBQUBL-QQOOZTEWSA-N
XLogP1.11
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide?
The IUPAC name of (Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide (CID 134479515) is (Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide.
What is the SMILES notation for (Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide?
The canonical SMILES for (Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide is [H]/N=C(\C=C/C)C(=O)NCC1CC1.
What is the InChIKey of (Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide?
The InChIKey is USMJKQOVVBQUBL-QQOOZTEWSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-3-8(10)9(12)11-6-7-4-5-7/h2-3,7,10H,4-6H2,1H3,(H,11,12)/b3-2-,10-8+.
What are the key properties of (Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide?
(Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide has a molecular weight of 166.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(cyclopropylmethyl)-2-iminopent-3-enamide is sourced from PubChem (CID 134479515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).