1-(6-methylhept-5-en-2-yl)pyrrolidine

C12H23N — CID 59305564

IUPAC1-(6-methylhept-5-en-2-yl)pyrrolidine
SMILESCC(C)=CCCC(C)N1CCCC1
InChIInChI=1S/C12H23N/c1-11(2)7-6-8-12(3)13-9-4-5-10-13/h7,12H,4-6,8-10H2,1-3H3
InChIKeyIZQFJDVUSINQKY-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds4

About 1-(6-methylhept-5-en-2-yl)pyrrolidine

1-(6-methylhept-5-en-2-yl)pyrrolidine (PubChem CID 59305564) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(6-methylhept-5-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(6-methylhept-5-en-2-yl)pyrrolidine
PubChem CID59305564
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(6-methylhept-5-en-2-yl)pyrrolidine
SMILESCC(C)=CCCC(C)N1CCCC1
InChIInChI=1S/C12H23N/c1-11(2)7-6-8-12(3)13-9-4-5-10-13/h7,12H,4-6,8-10H2,1-3H3
InChIKeyIZQFJDVUSINQKY-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylhept-5-en-2-yl)pyrrolidine?
The IUPAC name of 1-(6-methylhept-5-en-2-yl)pyrrolidine (CID 59305564) is 1-(6-methylhept-5-en-2-yl)pyrrolidine.
What is the SMILES notation for 1-(6-methylhept-5-en-2-yl)pyrrolidine?
The canonical SMILES for 1-(6-methylhept-5-en-2-yl)pyrrolidine is CC(C)=CCCC(C)N1CCCC1.
What is the InChIKey of 1-(6-methylhept-5-en-2-yl)pyrrolidine?
The InChIKey is IZQFJDVUSINQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2)7-6-8-12(3)13-9-4-5-10-13/h7,12H,4-6,8-10H2,1-3H3.
What are the key properties of 1-(6-methylhept-5-en-2-yl)pyrrolidine?
1-(6-methylhept-5-en-2-yl)pyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylhept-5-en-2-yl)pyrrolidine is sourced from PubChem (CID 59305564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).