1-hept-1-en-2-yl-3-methylpyrrolidine

C12H23N — CID 89279754

IUPAC1-hept-1-en-2-yl-3-methylpyrrolidine
SMILESC=C(CCCCC)N1CCC(C)C1
InChIInChI=1S/C12H23N/c1-4-5-6-7-12(3)13-9-8-11(2)10-13/h11H,3-10H2,1-2H3
InChIKeyNOGPKZUVIBZXAY-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.42
Rot. Bonds5

About 1-hept-1-en-2-yl-3-methylpyrrolidine

1-hept-1-en-2-yl-3-methylpyrrolidine (PubChem CID 89279754) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-hept-1-en-2-yl-3-methylpyrrolidine.

Molecular Properties

Compound Name1-hept-1-en-2-yl-3-methylpyrrolidine
PubChem CID89279754
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-hept-1-en-2-yl-3-methylpyrrolidine
SMILESC=C(CCCCC)N1CCC(C)C1
InChIInChI=1S/C12H23N/c1-4-5-6-7-12(3)13-9-8-11(2)10-13/h11H,3-10H2,1-2H3
InChIKeyNOGPKZUVIBZXAY-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 143498403
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CID 129028845
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-tridec-1-en-2-ylpiperazine
CID 142217059
1-hex-1-en-2-ylpyrrolidine
CID 18511208
3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 90249054
3-oct-1-en-2-yl-1,3-thiazolidine
CID 135303707
1-[(4R)-4-methyl-3-prop-1-en-2-ylpiperidin-1-yl]heptan-1-one
CID 167263196
1-(7-aminohept-1-en-2-yl)pyrrolidin-3-ol
CID 167214817
1-(3-chloropyrrolidin-1-yl)hexan-1-one
CID 63394452
4-(dipropylamino)-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 86899016

Frequently Asked Questions

What is the IUPAC name of 1-hept-1-en-2-yl-3-methylpyrrolidine?
The IUPAC name of 1-hept-1-en-2-yl-3-methylpyrrolidine (CID 89279754) is 1-hept-1-en-2-yl-3-methylpyrrolidine.
What is the SMILES notation for 1-hept-1-en-2-yl-3-methylpyrrolidine?
The canonical SMILES for 1-hept-1-en-2-yl-3-methylpyrrolidine is C=C(CCCCC)N1CCC(C)C1.
What is the InChIKey of 1-hept-1-en-2-yl-3-methylpyrrolidine?
The InChIKey is NOGPKZUVIBZXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-5-6-7-12(3)13-9-8-11(2)10-13/h11H,3-10H2,1-2H3.
What are the key properties of 1-hept-1-en-2-yl-3-methylpyrrolidine?
1-hept-1-en-2-yl-3-methylpyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-1-en-2-yl-3-methylpyrrolidine is sourced from PubChem (CID 89279754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).