(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine

C11H16N2 — CID 178005420

IUPAC(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine
SMILES[H]/N=C1C(=C/C)\C=CN\1C1CCCC1
InChIInChI=1S/C11H16N2/c1-2-9-7-8-13(11(9)12)10-5-3-4-6-10/h2,7-8,10,12H,3-6H2,1H3/b9-2-,12-11+
InChIKeyNUGHFQPVBGQHES-KZNIQVAMSA-N
MW176.26 g/mol
LogP2.68
Rot. Bonds1

About (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine

(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine (PubChem CID 178005420) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine
PubChem CID178005420
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine
SMILES[H]/N=C1C(=C/C)\C=CN\1C1CCCC1
InChIInChI=1S/C11H16N2/c1-2-9-7-8-13(11(9)12)10-5-3-4-6-10/h2,7-8,10,12H,3-6H2,1H3/b9-2-,12-11+
InChIKeyNUGHFQPVBGQHES-KZNIQVAMSA-N
XLogP2.68
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

(3Z)-3-ethylidene-1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]pyrrol-2-imine
CID 178081162
1-Cyclopentyl-4-methyl-3-methylidenepyrrol-2-imine
CID 123803889
(3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine
CID 142354934
(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide;ethene
CID 155705888
ethane;(3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine
CID 164552181
(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine;N,N-dimethylacetamide
CID 178005419
1-Cyclopentyl-5-methyl-3-methylidenepyrrol-2-imine
CID 153630476
(Z)-N'-cyclopentyl-2-[(E)-2-(dimethylamino)ethenyl]but-2-enimidamide
CID 155705889
(3Z)-3-ethylidene-1-hexan-3-ylpyrrol-2-imine
CID 164552182

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine?
The IUPAC name of (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine (CID 178005420) is (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine.
What is the SMILES notation for (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine?
The canonical SMILES for (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine is [H]/N=C1C(=C/C)\C=CN\1C1CCCC1.
What is the InChIKey of (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine?
The InChIKey is NUGHFQPVBGQHES-KZNIQVAMSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-9-7-8-13(11(9)12)10-5-3-4-6-10/h2,7-8,10,12H,3-6H2,1H3/b9-2-,12-11+.
What are the key properties of (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine?
(3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine has a molecular weight of 176.26 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-cyclopentyl-3-ethylidenepyrrol-2-imine is sourced from PubChem (CID 178005420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).