(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide

C15H25N3O — CID 178005419

IUPAC(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide
SMILESCC(=O)N(C)C.[H]/N=C1C(=C/C)\C=CN\1C1CCCC1
InChIInChI=1S/C11H16N2.C4H9NO/c1-2-9-7-8-13(11(9)12)10-5-3-4-6-10;1-4(6)5(2)3/h2,7-8,10,12H,3-6H2,1H3;1-3H3/b9-2-,12-11+;
InChIKeyHTKZUZBOANDGNR-NYOBTUIVSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds1

About (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide

(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide (PubChem CID 178005419) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide.

Molecular Properties

Compound Name(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide
PubChem CID178005419
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide
SMILESCC(=O)N(C)C.[H]/N=C1C(=C/C)\C=CN\1C1CCCC1
InChIInChI=1S/C11H16N2.C4H9NO/c1-2-9-7-8-13(11(9)12)10-5-3-4-6-10;1-4(6)5(2)3/h2,7-8,10,12H,3-6H2,1H3;1-3H3/b9-2-,12-11+;
InChIKeyHTKZUZBOANDGNR-NYOBTUIVSA-N
XLogP2.78
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide?
The IUPAC name of (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide (CID 178005419) is (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide.
What is the SMILES notation for (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide?
The canonical SMILES for (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide is CC(=O)N(C)C.[H]/N=C1C(=C/C)\C=CN\1C1CCCC1.
What is the InChIKey of (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide?
The InChIKey is HTKZUZBOANDGNR-NYOBTUIVSA-N. The full InChI is InChI=1S/C11H16N2.C4H9NO/c1-2-9-7-8-13(11(9)12)10-5-3-4-6-10;1-4(6)5(2)3/h2,7-8,10,12H,3-6H2,1H3;1-3H3/b9-2-,12-11+;.
What are the key properties of (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide?
(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide has a molecular weight of 263.38 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide is sourced from PubChem (CID 178005419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).