2-(aminomethylidene)-3-cyclopropyliminopentanal

C9H14N2O — CID 143110531

IUPAC2-(aminomethylidene)-3-cyclopropyliminopentanal
SMILESCC/C(=N\C1CC1)C(C=O)=CN
InChIInChI=1S/C9H14N2O/c1-2-9(7(5-10)6-12)11-8-3-4-8/h5-6,8H,2-4,10H2,1H3/b7-5?,11-9+
InChIKeyWAOKRFTWHLPKBL-NYCRTDSVSA-N
MW166.22 g/mol
LogP1.04
Rot. Bonds4

About 2-(aminomethylidene)-3-cyclopropyliminopentanal

2-(aminomethylidene)-3-cyclopropyliminopentanal (PubChem CID 143110531) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(aminomethylidene)-3-cyclopropyliminopentanal.

Molecular Properties

Compound Name2-(aminomethylidene)-3-cyclopropyliminopentanal
PubChem CID143110531
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(aminomethylidene)-3-cyclopropyliminopentanal
SMILESCC/C(=N\C1CC1)C(C=O)=CN
InChIInChI=1S/C9H14N2O/c1-2-9(7(5-10)6-12)11-8-3-4-8/h5-6,8H,2-4,10H2,1H3/b7-5?,11-9+
InChIKeyWAOKRFTWHLPKBL-NYCRTDSVSA-N
XLogP1.04
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethylidene)-3-cyclopropyliminopentanal?
The IUPAC name of 2-(aminomethylidene)-3-cyclopropyliminopentanal (CID 143110531) is 2-(aminomethylidene)-3-cyclopropyliminopentanal.
What is the SMILES notation for 2-(aminomethylidene)-3-cyclopropyliminopentanal?
The canonical SMILES for 2-(aminomethylidene)-3-cyclopropyliminopentanal is CC/C(=N\C1CC1)C(C=O)=CN.
What is the InChIKey of 2-(aminomethylidene)-3-cyclopropyliminopentanal?
The InChIKey is WAOKRFTWHLPKBL-NYCRTDSVSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-9(7(5-10)6-12)11-8-3-4-8/h5-6,8H,2-4,10H2,1H3/b7-5?,11-9+.
What are the key properties of 2-(aminomethylidene)-3-cyclopropyliminopentanal?
2-(aminomethylidene)-3-cyclopropyliminopentanal has a molecular weight of 166.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethylidene)-3-cyclopropyliminopentanal is sourced from PubChem (CID 143110531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).