3-hept-6-enylpyrrolidine

C11H21N — CID 107010775

IUPAC3-hept-6-enylpyrrolidine
SMILESC=CCCCCCC1CCNC1
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-7-11-8-9-12-10-11/h2,11-12H,1,3-10H2
InChIKeyRVXNYMZXDYVUJB-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds6

About 3-hept-6-enylpyrrolidine

3-hept-6-enylpyrrolidine (PubChem CID 107010775) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-hept-6-enylpyrrolidine.

Molecular Properties

Compound Name3-hept-6-enylpyrrolidine
PubChem CID107010775
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-hept-6-enylpyrrolidine
SMILESC=CCCCCCC1CCNC1
InChIInChI=1S/C11H21N/c1-2-3-4-5-6-7-11-8-9-12-10-11/h2,11-12H,1,3-10H2
InChIKeyRVXNYMZXDYVUJB-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pyrrolidin-3-ylnon-8-en-2-one
CID 107010907
(3S)-3-pentylpyrrolidine
CID 10261191
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
4-(hept-6-enoxymethyl)piperidine
CID 107007705
hex-5-enylcyclopentane
CID 20565123
1-bromo-3-hept-6-enylcyclopentane
CID 107010537
3-(4,4-dimethylpentyl)pyrrolidine
CID 59630397
1-pyrrolidin-3-ylhex-5-en-3-one
CID 116605872
3-hept-6-enoxy-4-methylpiperidine
CID 107007754
(3S)-3-hept-6-enoxypiperidine
CID 107007733
4-hex-5-enylcyclopentene
CID 154064369
2-hept-6-enylpiperidine
CID 107010178

Frequently Asked Questions

What is the IUPAC name of 3-hept-6-enylpyrrolidine?
The IUPAC name of 3-hept-6-enylpyrrolidine (CID 107010775) is 3-hept-6-enylpyrrolidine.
What is the SMILES notation for 3-hept-6-enylpyrrolidine?
The canonical SMILES for 3-hept-6-enylpyrrolidine is C=CCCCCCC1CCNC1.
What is the InChIKey of 3-hept-6-enylpyrrolidine?
The InChIKey is RVXNYMZXDYVUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-4-5-6-7-11-8-9-12-10-11/h2,11-12H,1,3-10H2.
What are the key properties of 3-hept-6-enylpyrrolidine?
3-hept-6-enylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-6-enylpyrrolidine is sourced from PubChem (CID 107010775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).