1-(5-methylhex-1-en-2-yl)pyrrolidine

C11H21N — CID 89307642

IUPAC1-(5-methylhex-1-en-2-yl)pyrrolidine
SMILESC=C(CCC(C)C)N1CCCC1
InChIInChI=1S/C11H21N/c1-10(2)6-7-11(3)12-8-4-5-9-12/h10H,3-9H2,1-2H3
InChIKeyPMHHLSDSTLQQHX-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.03
Rot. Bonds4

About 1-(5-methylhex-1-en-2-yl)pyrrolidine

1-(5-methylhex-1-en-2-yl)pyrrolidine (PubChem CID 89307642) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-(5-methylhex-1-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(5-methylhex-1-en-2-yl)pyrrolidine
PubChem CID89307642
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-(5-methylhex-1-en-2-yl)pyrrolidine
SMILESC=C(CCC(C)C)N1CCCC1
InChIInChI=1S/C11H21N/c1-10(2)6-7-11(3)12-8-4-5-9-12/h10H,3-9H2,1-2H3
InChIKeyPMHHLSDSTLQQHX-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylhex-1-en-2-yl)pyrrolidine?
The IUPAC name of 1-(5-methylhex-1-en-2-yl)pyrrolidine (CID 89307642) is 1-(5-methylhex-1-en-2-yl)pyrrolidine.
What is the SMILES notation for 1-(5-methylhex-1-en-2-yl)pyrrolidine?
The canonical SMILES for 1-(5-methylhex-1-en-2-yl)pyrrolidine is C=C(CCC(C)C)N1CCCC1.
What is the InChIKey of 1-(5-methylhex-1-en-2-yl)pyrrolidine?
The InChIKey is PMHHLSDSTLQQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(2)6-7-11(3)12-8-4-5-9-12/h10H,3-9H2,1-2H3.
What are the key properties of 1-(5-methylhex-1-en-2-yl)pyrrolidine?
1-(5-methylhex-1-en-2-yl)pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylhex-1-en-2-yl)pyrrolidine is sourced from PubChem (CID 89307642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).