N-[(Z)-4-iminopent-2-en-2-yl]propanamide

C8H14N2O — CID 164531525

IUPACN-[(Z)-4-iminopent-2-en-2-yl]propanamide
SMILES[H]/N=C(C)/C=C(/C)NC(=O)CC
InChIInChI=1S/C8H14N2O/c1-4-8(11)10-7(3)5-6(2)9/h5,9H,4H2,1-3H3,(H,10,11)/b7-5-,9-6+
InChIKeyPPSUCIKMHZHVSM-XCZNYUDNSA-N
MW154.21 g/mol
LogP1.46
Rot. Bonds3

About N-[(Z)-4-iminopent-2-en-2-yl]propanamide

N-[(Z)-4-iminopent-2-en-2-yl]propanamide (PubChem CID 164531525) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[(Z)-4-iminopent-2-en-2-yl]propanamide.

Molecular Properties

Compound NameN-[(Z)-4-iminopent-2-en-2-yl]propanamide
PubChem CID164531525
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[(Z)-4-iminopent-2-en-2-yl]propanamide
SMILES[H]/N=C(C)/C=C(/C)NC(=O)CC
InChIInChI=1S/C8H14N2O/c1-4-8(11)10-7(3)5-6(2)9/h5,9H,4H2,1-3H3,(H,10,11)/b7-5-,9-6+
InChIKeyPPSUCIKMHZHVSM-XCZNYUDNSA-N
XLogP1.46
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.46
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 N-[(Z)-4-iminopent-2-en-2-yl]propanamide?
The IUPAC name of N-[(Z)-4-iminopent-2-en-2-yl]propanamide (CID 164531525) is N-[(Z)-4-iminopent-2-en-2-yl]propanamide.
What is the SMILES notation for N-[(Z)-4-iminopent-2-en-2-yl]propanamide?
The canonical SMILES for N-[(Z)-4-iminopent-2-en-2-yl]propanamide is [H]/N=C(C)/C=C(/C)NC(=O)CC.
What is the InChIKey of N-[(Z)-4-iminopent-2-en-2-yl]propanamide?
The InChIKey is PPSUCIKMHZHVSM-XCZNYUDNSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-8(11)10-7(3)5-6(2)9/h5,9H,4H2,1-3H3,(H,10,11)/b7-5-,9-6+.
What are the key properties of N-[(Z)-4-iminopent-2-en-2-yl]propanamide?
N-[(Z)-4-iminopent-2-en-2-yl]propanamide has a molecular weight of 154.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-iminopent-2-en-2-yl]propanamide is sourced from PubChem (CID 164531525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).