(1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol

C9H17NO — CID 103971107

IUPAC(1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CC(C)N(C)C1
InChIInChI=1S/C9H17NO/c1-7-4-9(5-8(2)11)6-10(7)3/h5,7-8,11H,4,6H2,1-3H3/b9-5-
InChIKeyKWAPHXRSPZOTMR-UITAMQMPSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds1

About (1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol

(1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol (PubChem CID 103971107) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol.

Molecular Properties

Compound Name(1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol
PubChem CID103971107
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CC(C)N(C)C1
InChIInChI=1S/C9H17NO/c1-7-4-9(5-8(2)11)6-10(7)3/h5,7-8,11H,4,6H2,1-3H3/b9-5-
InChIKeyKWAPHXRSPZOTMR-UITAMQMPSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
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

Iqxyzrgpmpafka-uhfffaoysa-
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(E)-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
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1,2,3,5,6,8a-Hexahydroindolizine-7-methanol
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(R)-3-Hydroxy-1-(N-methylpyrrolidin-2-yl)propene
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CID 54348231
3-(1-Methylpyrrolidin-2-yl)prop-2-en-1-ol
CID 70146895
(2E)-1-[cyclohexyl(methyl)amino]-3,7-dimethylocta-2,6-dien-1-ol
CID 70435113
6-(Dimethylamino)-3,7-dimethylocta-2,7-dien-1-ol
CID 85557494
(2E,6Z)-7-[[di(propan-2-yl)amino]methyl]-3,11-dimethyldodeca-2,6,10-trien-1-ol
CID 88779302
(3S,6R)-6-ethyl-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-ol
CID 117945259
(3S,6R)-5,6-diethyl-1-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 117945341

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol?
The IUPAC name of (1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol (CID 103971107) is (1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol.
What is the SMILES notation for (1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol?
The canonical SMILES for (1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol is CC(O)/C=C1/CC(C)N(C)C1.
What is the InChIKey of (1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol?
The InChIKey is KWAPHXRSPZOTMR-UITAMQMPSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-9(5-8(2)11)6-10(7)3/h5,7-8,11H,4,6H2,1-3H3/b9-5-.
What are the key properties of (1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol?
(1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(1,5-dimethylpyrrolidin-3-ylidene)propan-2-ol is sourced from PubChem (CID 103971107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).