(3Z)-3-(3-ethylcyclohexylidene)pyrrolidine

C12H21N — CID 131489126

IUPAC(3Z)-3-(3-ethylcyclohexylidene)pyrrolidine
SMILESCCC1CCC/C(=C2\CCNC2)C1
InChIInChI=1S/C12H21N/c1-2-10-4-3-5-11(8-10)12-6-7-13-9-12/h10,13H,2-9H2,1H3/b12-11-
InChIKeyNSEJEVFNFQFQRV-QXMHVHEDSA-N
MW179.31 g/mol
LogP2.88
Rot. Bonds1

About (3Z)-3-(3-ethylcyclohexylidene)pyrrolidine

(3Z)-3-(3-ethylcyclohexylidene)pyrrolidine (PubChem CID 131489126) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (3Z)-3-(3-ethylcyclohexylidene)pyrrolidine.

Molecular Properties

Compound Name(3Z)-3-(3-ethylcyclohexylidene)pyrrolidine
PubChem CID131489126
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(3Z)-3-(3-ethylcyclohexylidene)pyrrolidine
SMILESCCC1CCC/C(=C2\CCNC2)C1
InChIInChI=1S/C12H21N/c1-2-10-4-3-5-11(8-10)12-6-7-13-9-12/h10,13H,2-9H2,1H3/b12-11-
InChIKeyNSEJEVFNFQFQRV-QXMHVHEDSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(3-ethylcyclohexylidene)pyrrolidine?
The IUPAC name of (3Z)-3-(3-ethylcyclohexylidene)pyrrolidine (CID 131489126) is (3Z)-3-(3-ethylcyclohexylidene)pyrrolidine.
What is the SMILES notation for (3Z)-3-(3-ethylcyclohexylidene)pyrrolidine?
The canonical SMILES for (3Z)-3-(3-ethylcyclohexylidene)pyrrolidine is CCC1CCC/C(=C2\CCNC2)C1.
What is the InChIKey of (3Z)-3-(3-ethylcyclohexylidene)pyrrolidine?
The InChIKey is NSEJEVFNFQFQRV-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H21N/c1-2-10-4-3-5-11(8-10)12-6-7-13-9-12/h10,13H,2-9H2,1H3/b12-11-.
What are the key properties of (3Z)-3-(3-ethylcyclohexylidene)pyrrolidine?
(3Z)-3-(3-ethylcyclohexylidene)pyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(3-ethylcyclohexylidene)pyrrolidine is sourced from PubChem (CID 131489126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).