(3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine

C15H21N3 — CID 142354934

IUPAC(3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine
SMILES[H]/N=C1C(=C\C)/C(C2=CNCC2)=CN/1C1CCCC1
InChIInChI=1S/C15H21N3/c1-2-13-14(11-7-8-17-9-11)10-18(15(13)16)12-5-3-4-6-12/h2,9-10,12,16-17H,3-8H2,1H3/b13-2-,16-15-
InChIKeyYSPMSKOCGQRXCM-IBXHHNNMSA-N
MW243.35 g/mol
LogP2.93
Rot. Bonds2

About (3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine

(3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine (PubChem CID 142354934) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine
PubChem CID142354934
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine
SMILES[H]/N=C1C(=C\C)/C(C2=CNCC2)=CN/1C1CCCC1
InChIInChI=1S/C15H21N3/c1-2-13-14(11-7-8-17-9-11)10-18(15(13)16)12-5-3-4-6-12/h2,9-10,12,16-17H,3-8H2,1H3/b13-2-,16-15-
InChIKeyYSPMSKOCGQRXCM-IBXHHNNMSA-N
XLogP2.93
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
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-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine?
The IUPAC name of (3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine (CID 142354934) is (3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine.
What is the SMILES notation for (3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine?
The canonical SMILES for (3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine is [H]/N=C1C(=C\C)/C(C2=CNCC2)=CN/1C1CCCC1.
What is the InChIKey of (3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine?
The InChIKey is YSPMSKOCGQRXCM-IBXHHNNMSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-13-14(11-7-8-17-9-11)10-18(15(13)16)12-5-3-4-6-12/h2,9-10,12,16-17H,3-8H2,1H3/b13-2-,16-15-.
What are the key properties of (3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine?
(3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine has a molecular weight of 243.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-cyclopentyl-4-(2,3-dihydro-1H-pyrrol-4-yl)-3-ethylidenepyrrol-2-imine is sourced from PubChem (CID 142354934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).