(1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol

C14H25NO — CID 18714359

IUPAC(1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(N2CCCC2)[C@@H](O)C1
InChIInChI=1S/C14H25NO/c1-11(2)12-6-7-14(3,13(16)10-12)15-8-4-5-9-15/h12-13,16H,1,4-10H2,2-3H3/t12-,13+,14+/m1/s1
InChIKeyDZKPVCKOCUEVFY-RDBSUJKOSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds2

About (1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol

(1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol (PubChem CID 18714359) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
PubChem CID18714359
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
SMILESC=C(C)[C@@H]1CC[C@](C)(N2CCCC2)[C@@H](O)C1
InChIInChI=1S/C14H25NO/c1-11(2)12-6-7-14(3,13(16)10-12)15-8-4-5-9-15/h12-13,16H,1,4-10H2,2-3H3/t12-,13+,14+/m1/s1
InChIKeyDZKPVCKOCUEVFY-RDBSUJKOSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
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
2-(Dimethylamino)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol
CID 18714363
2-Methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 22625217
(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
(1R,2S,5R)-5-methyl-2-[2-[(3S,4S)-3-methyl-4-prop-1-en-2-ylpyrrolidin-1-yl]propan-2-yl]cyclohexan-1-ol
CID 11231308
(1R,2R,5R)-1-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 11276127
(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
(3S,4S)-1-[2-[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]propan-2-yl]-3-propan-2-yl-4-prop-1-en-2-ylpyrrolidin-3-ol
CID 11759120
(1R,2R,5S)-2-Methyl-2-(morpholin-4-yl)-5-(prop-1-en-2-yl)cyclohexan-1-ol
CID 57356833
1-[1-(Dimethylamino)-4-methylcyclohexyl]-3-methylidenepentan-1-ol
CID 79074650
1-[1-(Dimethylamino)-4-methylcyclohexyl]-3-methylbut-3-en-1-ol
CID 79177815

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol (CID 18714359) is (1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol is C=C(C)[C@@H]1CC[C@](C)(N2CCCC2)[C@@H](O)C1.
What is the InChIKey of (1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
The InChIKey is DZKPVCKOCUEVFY-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)12-6-7-14(3,13(16)10-12)15-8-4-5-9-15/h12-13,16H,1,4-10H2,2-3H3/t12-,13+,14+/m1/s1.
What are the key properties of (1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol?
(1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-methyl-5-prop-1-en-2-yl-2-pyrrolidin-1-ylcyclohexan-1-ol is sourced from PubChem (CID 18714359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).