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

C11H17N — CID 134850991

IUPAC1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine
SMILESCC1=CCCC(N2CCCC2)=C1
InChIInChI=1S/C11H17N/c1-10-5-4-6-11(9-10)12-7-2-3-8-12/h5,9H,2-4,6-8H2,1H3
InChIKeyVAZSNEXMRHSKBN-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.71
Rot. Bonds1

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

1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine (PubChem CID 134850991) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine
PubChem CID134850991
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine
SMILESCC1=CCCC(N2CCCC2)=C1
InChIInChI=1S/C11H17N/c1-10-5-4-6-11(9-10)12-7-2-3-8-12/h5,9H,2-4,6-8H2,1H3
InChIKeyVAZSNEXMRHSKBN-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine?
The IUPAC name of 1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine (CID 134850991) is 1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine.
What is the SMILES notation for 1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine?
The canonical SMILES for 1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine is CC1=CCCC(N2CCCC2)=C1.
What is the InChIKey of 1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine?
The InChIKey is VAZSNEXMRHSKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-10-5-4-6-11(9-10)12-7-2-3-8-12/h5,9H,2-4,6-8H2,1H3.
What are the key properties of 1-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine?
1-(3-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-(3-methylcyclohexa-1,3-dien-1-yl)pyrrolidine is sourced from PubChem (CID 134850991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).