1-(4-methylcyclohex-3-en-1-yl)pyrrolidine

C11H19N — CID 130471845

IUPAC1-(4-methylcyclohex-3-en-1-yl)pyrrolidine
SMILESCC1=CCC(N2CCCC2)CC1
InChIInChI=1S/C11H19N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h4,11H,2-3,5-9H2,1H3
InChIKeyVLECPDZPGGHKLU-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.58
Rot. Bonds1

About 1-(4-methylcyclohex-3-en-1-yl)pyrrolidine

1-(4-methylcyclohex-3-en-1-yl)pyrrolidine (PubChem CID 130471845) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(4-methylcyclohex-3-en-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-methylcyclohex-3-en-1-yl)pyrrolidine
PubChem CID130471845
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(4-methylcyclohex-3-en-1-yl)pyrrolidine
SMILESCC1=CCC(N2CCCC2)CC1
InChIInChI=1S/C11H19N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h4,11H,2-3,5-9H2,1H3
InChIKeyVLECPDZPGGHKLU-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine
CID 139394865
1-(5-methylcyclohepta-2,5-dien-1-yl)-4-piperidin-1-ylpiperidine
CID 142939400
1,4-dimethyl(113C)cyclohexene
CID 11018826
1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine
CID 143924652
1-methyl-4-propylcyclohexene
CID 102055246
3-pyrrolidin-1-ylcyclopentan-1-one
CID 79643269
3-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazol-2-one
CID 143122601
1-(4-methylcyclohex-3-en-1-yl)propane-1,2-dione
CID 130027299
1-cyclopropylpiperidine
CID 10909573
4-(3-methylpyrrolidin-1-yl)cyclohexen-1-amine
CID 174318550
(3Z)-4-methylcyclooct-3-en-1-ol
CID 23092761
1,4-dimethylcyclodecene
CID 173437289

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohex-3-en-1-yl)pyrrolidine?
The IUPAC name of 1-(4-methylcyclohex-3-en-1-yl)pyrrolidine (CID 130471845) is 1-(4-methylcyclohex-3-en-1-yl)pyrrolidine.
What is the SMILES notation for 1-(4-methylcyclohex-3-en-1-yl)pyrrolidine?
The canonical SMILES for 1-(4-methylcyclohex-3-en-1-yl)pyrrolidine is CC1=CCC(N2CCCC2)CC1.
What is the InChIKey of 1-(4-methylcyclohex-3-en-1-yl)pyrrolidine?
The InChIKey is VLECPDZPGGHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h4,11H,2-3,5-9H2,1H3.
What are the key properties of 1-(4-methylcyclohex-3-en-1-yl)pyrrolidine?
1-(4-methylcyclohex-3-en-1-yl)pyrrolidine has a molecular weight of 165.28 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohex-3-en-1-yl)pyrrolidine is sourced from PubChem (CID 130471845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).