1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine

C11H17N — CID 89192377

IUPAC1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine
SMILESCC1=CC=C(N2CCCC2)CC1
InChIInChI=1S/C11H17N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h4,6H,2-3,5,7-9H2,1H3
InChIKeyBOEJNFHTHFSABW-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.71
Rot. Bonds1

About 1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine

1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine (PubChem CID 89192377) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine
PubChem CID89192377
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine
SMILESCC1=CC=C(N2CCCC2)CC1
InChIInChI=1S/C11H17N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h4,6H,2-3,5,7-9H2,1H3
InChIKeyBOEJNFHTHFSABW-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Pyrrolidino-1-cyclohexene
CID 70768
N,N-Diethylcyclopent-1-en-1-amine
CID 14610479
1-(2-Methyl-1-pyrrolidinyl)cyclohexene
CID 4674520
2-Pyrroline, 2-n-butyl-1-methyl-
CID 18179222
Pyrrolidine, 1-(6-methyl-1-cyclohexen-1-yl)-
CID 11030177
1-(1-Cyclopenta-2,4-dien-1-ylidenepropyl)piperidine
CID 134982821
(e)-4-Pyrrolidino-3-heptene
CID 11789592
1-Cyclohexa-1,3-dien-1-ylpyrrolidine
CID 17900790
N,N,4-trimethylcyclohexa-1,3-dien-1-amine
CID 19835393
1-Ethyltetrahydroindole
CID 129798269
1-Buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123874356
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine?
The IUPAC name of 1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine (CID 89192377) is 1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine.
What is the SMILES notation for 1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine?
The canonical SMILES for 1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine is CC1=CC=C(N2CCCC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine?
The InChIKey is BOEJNFHTHFSABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h4,6H,2-3,5,7-9H2,1H3.
What are the key properties of 1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine?
1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine has a molecular weight of 163.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-1,3-dien-1-yl)pyrrolidine is sourced from PubChem (CID 89192377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).