1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine

C12H23N — CID 143654248

IUPAC1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine
SMILESCC(C)=CCC[C@H](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/t12-/m0/s1
InChIKeyIZQFJDVUSINQKY-LBPRGKRZSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds4

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

1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine (PubChem CID 143654248) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine
PubChem CID143654248
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine
SMILESCC(C)=CCC[C@H](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/t12-/m0/s1
InChIKeyIZQFJDVUSINQKY-LBPRGKRZSA-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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Related Compounds

(8S)-7-methyl-2,3,5,8-tetrahydro-1H-pyrrolizine
CID 10964486
4-Hexenylamine, N-ethyl-N,1,5-trimethyl-
CID 57940
1-methyl-4-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine
CID 44376874
Pyridine, 1,2,5,6-tetrahydro-1,4,6-trimethyl-
CID 23423766
1-(3,7-Dimethylocta-2,6-dienyl)pyrrolidine
CID 72951919
1-Diethylamino-4-methyl-4-hexen
CID 129808165
3-But-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine
CID 123887053
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine
CID 144607829
(2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine
CID 146476929
3-fluoro-1-[(2E)-2-(2-methylpropylidene)cyclopentyl]pyrrolidine
CID 164922204
4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine
CID 164922213

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine?
The IUPAC name of 1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine (CID 143654248) is 1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine.
What is the SMILES notation for 1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine?
The canonical SMILES for 1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine is CC(C)=CCC[C@H](C)N1CCCC1.
What is the InChIKey of 1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine?
The InChIKey is IZQFJDVUSINQKY-LBPRGKRZSA-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/t12-/m0/s1.
What are the key properties of 1-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine?
1-[(2S)-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-[(2S)-6-methylhept-5-en-2-yl]pyrrolidine is sourced from PubChem (CID 143654248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).