N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide

C8H13N3O — CID 89156140

IUPACN-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide
SMILESC=C(/C=N/C=C\N)NC(=O)CC
InChIInChI=1S/C8H13N3O/c1-3-8(12)11-7(2)6-10-5-4-9/h4-6H,2-3,9H2,1H3,(H,11,12)/b5-4-,10-6+
InChIKeyPWRPUEWVHDFQOT-VWJYOPCBSA-N
MW167.21 g/mol
LogP0.53
Rot. Bonds4

About N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide

N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide (PubChem CID 89156140) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide
PubChem CID89156140
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide
SMILESC=C(/C=N/C=C\N)NC(=O)CC
InChIInChI=1S/C8H13N3O/c1-3-8(12)11-7(2)6-10-5-4-9/h4-6H,2-3,9H2,1H3,(H,11,12)/b5-4-,10-6+
InChIKeyPWRPUEWVHDFQOT-VWJYOPCBSA-N
XLogP0.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide?
The IUPAC name of N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide (CID 89156140) is N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide.
What is the SMILES notation for N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide?
The canonical SMILES for N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide is C=C(/C=N/C=C\N)NC(=O)CC.
What is the InChIKey of N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide?
The InChIKey is PWRPUEWVHDFQOT-VWJYOPCBSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-8(12)11-7(2)6-10-5-4-9/h4-6H,2-3,9H2,1H3,(H,11,12)/b5-4-,10-6+.
What are the key properties of N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide?
N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide has a molecular weight of 167.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-2-aminoethenyl]iminoprop-1-en-2-yl]propanamide is sourced from PubChem (CID 89156140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).