(3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine

C15H22N2 — CID 166750425

IUPAC(3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine
SMILESC=C(C)/N=C1C(=C\C)/C=C(C)N/1C1CCCC1
InChIInChI=1S/C15H22N2/c1-5-13-10-12(4)17(14-8-6-7-9-14)15(13)16-11(2)3/h5,10,14H,2,6-9H2,1,3-4H3/b13-5-,16-15-
InChIKeyCBIBFZXDCGORMV-RTGGFMMXSA-N
MW230.35 g/mol
LogP4.03
Rot. Bonds2

About (3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine

(3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine (PubChem CID 166750425) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine
PubChem CID166750425
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine
SMILESC=C(C)/N=C1C(=C\C)/C=C(C)N/1C1CCCC1
InChIInChI=1S/C15H22N2/c1-5-13-10-12(4)17(14-8-6-7-9-14)15(13)16-11(2)3/h5,10,14H,2,6-9H2,1,3-4H3/b13-5-,16-15-
InChIKeyCBIBFZXDCGORMV-RTGGFMMXSA-N
XLogP4.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine?
The IUPAC name of (3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine (CID 166750425) is (3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine.
What is the SMILES notation for (3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine?
The canonical SMILES for (3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine is C=C(C)/N=C1C(=C\C)/C=C(C)N/1C1CCCC1.
What is the InChIKey of (3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine?
The InChIKey is CBIBFZXDCGORMV-RTGGFMMXSA-N. The full InChI is InChI=1S/C15H22N2/c1-5-13-10-12(4)17(14-8-6-7-9-14)15(13)16-11(2)3/h5,10,14H,2,6-9H2,1,3-4H3/b13-5-,16-15-.
What are the key properties of (3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine?
(3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine has a molecular weight of 230.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-cyclopentyl-3-ethylidene-5-methyl-N-prop-1-en-2-ylpyrrol-2-imine is sourced from PubChem (CID 166750425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).