(1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol

C17H31NO — CID 11207827

IUPAC(1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC=C[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)C[C@H]1C
InChIInChI=1S/C17H31NO/c1-6-14-11-18(10-13(14)3)17(4,5)15-8-7-12(2)9-16(15)19/h6,12-16,19H,1,7-11H2,2-5H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyOQXPJKUTYQJOQC-IBEHDNSVSA-N
MW265.44 g/mol
LogP3.32
Rot. Bonds3

About (1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol

(1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 11207827) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID11207827
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC=C[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)C[C@H]1C
InChIInChI=1S/C17H31NO/c1-6-14-11-18(10-13(14)3)17(4,5)15-8-7-12(2)9-16(15)19/h6,12-16,19H,1,7-11H2,2-5H3/t12-,13-,14+,15-,16-/m1/s1
InChIKeyOQXPJKUTYQJOQC-IBEHDNSVSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.32
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

(1R,2R,5S)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 11264560
(1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 18714359
2-Methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 22625217
(1R,2S,5R)-2-[2-[(3S,4S)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10491113
(1R,2S,5R)-2-[2-[(3aS,5S,7aS)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10518701
(1R,2S,5R)-2-[2-(but-3-enylamino)propan-2-yl]-5-methylcyclohexan-1-ol
CID 10561177
(1R,2S,5R)-2-[2-[(3aS,5R,7aR)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10566524
(1R,2S,5R)-2-[2-[(3R,4R)-3,4-dimethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10586997
(1R,2S,5R)-2-[2-[(3aR,5R,7aR)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10590724
(1R,2S,5R)-5-methyl-2-[2-[(3S)-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
CID 10635556
(1R,2S,5R)-2-[2-[(3S)-3-ethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10682324
(1R,2S,5R)-2-[2-[(3R)-3-ethylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10729577

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol (CID 11207827) is (1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol is C=C[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)C[C@H]1C.
What is the InChIKey of (1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is OQXPJKUTYQJOQC-IBEHDNSVSA-N. The full InChI is InChI=1S/C17H31NO/c1-6-14-11-18(10-13(14)3)17(4,5)15-8-7-12(2)9-16(15)19/h6,12-16,19H,1,7-11H2,2-5H3/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
(1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 11207827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).