1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol

C16H31NO — CID 170203241

IUPAC1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol
SMILESCC/C=C(/C)C(CC(C)CCC)N1CCCC1O
InChIInChI=1S/C16H31NO/c1-5-8-13(3)12-15(14(4)9-6-2)17-11-7-10-16(17)18/h9,13,15-16,18H,5-8,10-12H2,1-4H3/b14-9-
InChIKeyKGLWAHQKJJVUKU-ZROIWOOFSA-N
MW253.43 g/mol
LogP3.95
Rot. Bonds7

About 1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol

1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol (PubChem CID 170203241) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol.

Molecular Properties

Compound Name1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol
PubChem CID170203241
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol
SMILESCC/C=C(/C)C(CC(C)CCC)N1CCCC1O
InChIInChI=1S/C16H31NO/c1-5-8-13(3)12-15(14(4)9-6-2)17-11-7-10-16(17)18/h9,13,15-16,18H,5-8,10-12H2,1-4H3/b14-9-
InChIKeyKGLWAHQKJJVUKU-ZROIWOOFSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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5-[4-(4-methylhexan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]pentan-2-ol
CID 90689089
1-(4-Methylhex-5-en-2-yl)-5-(4-methyl-3-methylidenehepta-4,6-dien-2-yl)pyrrolidin-2-ol
CID 123166315
cyclobutyl-[(2S)-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolidin-1-yl]methanol
CID 129190716
2-Methyl-1-[2-(2-methylprop-1-enyl)pyrrolidin-1-yl]propan-1-ol
CID 169875975
1-[(Z)-3,6-dimethylnon-2-en-4-yl]pyrrolidin-2-ol
CID 170026498
[1-[(4-Prop-1-en-2-ylcyclohexen-1-yl)methyl]pyrrolidin-2-yl]methanol
CID 2845239
3-[(5R,8R,8aS)-8-methyl-1,2,3,5,8,8a-hexahydroindolizin-5-yl]propan-1-ol
CID 10584018
[(2R)-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol
CID 11871913
[(2R)-1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol
CID 11904742
[1-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidin-2-yl]methanol
CID 23790468
[1-(2-Cyclohex-1-en-1-ylethyl)pyrrolidin-3-yl]methanol
CID 53215529

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol?
The IUPAC name of 1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol (CID 170203241) is 1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol.
What is the SMILES notation for 1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol?
The canonical SMILES for 1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol is CC/C=C(/C)C(CC(C)CCC)N1CCCC1O.
What is the InChIKey of 1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol?
The InChIKey is KGLWAHQKJJVUKU-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-8-13(3)12-15(14(4)9-6-2)17-11-7-10-16(17)18/h9,13,15-16,18H,5-8,10-12H2,1-4H3/b14-9-.
What are the key properties of 1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol?
1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol has a molecular weight of 253.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4,7-dimethyldec-3-en-5-yl]pyrrolidin-2-ol is sourced from PubChem (CID 170203241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).