1-(cyclohepten-1-yl)pyrrolidine

C11H19N — CID 586037

IUPAC1-(cyclohepten-1-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCCCC1
InChIInChI=1S/C11H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-12/h7H,1-6,8-10H2
InChIKeyUETVMGUBKRBHAV-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.93
Rot. Bonds1

About 1-(cyclohepten-1-yl)pyrrolidine

1-(cyclohepten-1-yl)pyrrolidine (PubChem CID 586037) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)pyrrolidine
PubChem CID586037
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(cyclohepten-1-yl)pyrrolidine
SMILESC1=C(N2CCCC2)CCCCC1
InChIInChI=1S/C11H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-12/h7H,1-6,8-10H2
InChIKeyUETVMGUBKRBHAV-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)pyrrolidine?
The IUPAC name of 1-(cyclohepten-1-yl)pyrrolidine (CID 586037) is 1-(cyclohepten-1-yl)pyrrolidine.
What is the SMILES notation for 1-(cyclohepten-1-yl)pyrrolidine?
The canonical SMILES for 1-(cyclohepten-1-yl)pyrrolidine is C1=C(N2CCCC2)CCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)pyrrolidine?
The InChIKey is UETVMGUBKRBHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-4-8-11(7-3-1)12-9-5-6-10-12/h7H,1-6,8-10H2.
What are the key properties of 1-(cyclohepten-1-yl)pyrrolidine?
1-(cyclohepten-1-yl)pyrrolidine has a molecular weight of 165.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)pyrrolidine is sourced from PubChem (CID 586037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).