1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide

C10H17NO2 — CID 140939281

IUPAC1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
SMILESC[C@H](O)CC1(C(N)=O)CC=CCC1
InChIInChI=1S/C10H17NO2/c1-8(12)7-10(9(11)13)5-3-2-4-6-10/h2-3,8,12H,4-7H2,1H3,(H2,11,13)/t8-,10?/m0/s1
InChIKeyJIFNIONPHDBXFD-PEHGTWAWSA-N
MW183.25 g/mol
LogP0.97
Rot. Bonds3

About 1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide

1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide (PubChem CID 140939281) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
PubChem CID140939281
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide
SMILESC[C@H](O)CC1(C(N)=O)CC=CCC1
InChIInChI=1S/C10H17NO2/c1-8(12)7-10(9(11)13)5-3-2-4-6-10/h2-3,8,12H,4-7H2,1H3,(H2,11,13)/t8-,10?/m0/s1
InChIKeyJIFNIONPHDBXFD-PEHGTWAWSA-N
XLogP0.97
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylcyclohex-3-ene-1-carboxamide
CID 66765185
1-(2,2-difluoroethyl)cyclohex-3-ene-1-carboxylic acid
CID 126987637
methyl 1-(2-cyano-2-hydroxyethyl)cyclohex-3-ene-1-carboxylate
CID 14219571
2-hydroxy-2-(1-methylcyclohex-3-en-1-yl)acetamide
CID 13255391
(1-propanoylcyclohex-3-en-1-yl)methyl N-propan-2-ylcarbamate
CID 20535924
1-[2-(ethylamino)-2-oxoethyl]cyclopent-3-ene-1-carboxamide
CID 142099885
3-(2-hydroxypropyl)thiolane-3-carboxylic acid
CID 115018284
methyl 1-(2-methylpropyl)cyclopent-3-ene-1-carboxylate
CID 59050089
(2R)-1-(1-aminocyclopropyl)propan-2-ol
CID 96637979
(2R)-1-(deuteriomethyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 141114850
(1-ethylcyclohex-3-en-1-yl)methyl N-propan-2-ylcarbamate
CID 173442023
1-(2-hydroxypropyl)-3-methylcyclopentane-1-carboxylic acid
CID 79429056

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of 1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide (CID 140939281) is 1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for 1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide is C[C@H](O)CC1(C(N)=O)CC=CCC1.
What is the InChIKey of 1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is JIFNIONPHDBXFD-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)7-10(9(11)13)5-3-2-4-6-10/h2-3,8,12H,4-7H2,1H3,(H2,11,13)/t8-,10?/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide?
1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxypropyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 140939281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).