(1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol

C19H35NO — CID 11483240

IUPAC(1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC=C(C)[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)CC1(C)C
InChIInChI=1S/C19H35NO/c1-13(2)16-11-20(12-18(16,4)5)19(6,7)15-9-8-14(3)10-17(15)21/h14-17,21H,1,8-12H2,2-7H3/t14-,15-,16-,17-/m1/s1
InChIKeyPBGYJGYTVLHJLT-QBPKDAKJSA-N
MW293.50 g/mol
LogP4.10
Rot. Bonds3

About (1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol

(1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 11483240) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is (1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID11483240
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name(1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
SMILESC=C(C)[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)CC1(C)C
InChIInChI=1S/C19H35NO/c1-13(2)16-11-20(12-18(16,4)5)19(6,7)15-9-8-14(3)10-17(15)21/h14-17,21H,1,8-12H2,2-7H3/t14-,15-,16-,17-/m1/s1
InChIKeyPBGYJGYTVLHJLT-QBPKDAKJSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol with MolForge

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Related Compounds

(1R,2S,5R)-5-methyl-2-[2-[(2S,3S)-2-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
CID 11323509
(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-[(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-[(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-[(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-[(3aR,5S,7aS)-5-ethyl-1,3,3a,4,5,7a-hexahydroisoindol-2-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 10756996
(1R,2S,5R)-5-methyl-2-[2-[(3R,4R)-3-propan-2-yl-4-(tributylstannylmethyl)pyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
CID 10897083
(1R,2S,5R)-2-[2-[(3R,4S)-3-ethenyl-4-methylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11207827
(1R,2S,5R)-2-[2-[(3S,4S)-3-ethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol
CID 11220108

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of (1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol (CID 11483240) is (1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for (1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for (1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol is C=C(C)[C@H]1CN(C(C)(C)[C@@H]2CC[C@@H](C)C[C@H]2O)CC1(C)C.
What is the InChIKey of (1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is PBGYJGYTVLHJLT-QBPKDAKJSA-N. The full InChI is InChI=1S/C19H35NO/c1-13(2)16-11-20(12-18(16,4)5)19(6,7)15-9-8-14(3)10-17(15)21/h14-17,21H,1,8-12H2,2-7H3/t14-,15-,16-,17-/m1/s1.
What are the key properties of (1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol?
(1R,2S,5R)-2-[2-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 293.50 g/mol, XLogP of 4.10, 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-[(4R)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 11483240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).