N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide

C10H17NO2 — CID 166414523

IUPACN-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H17NO2/c1-2-10(13)11-7-8-5-3-4-6-9(8)12/h2,8-9,12H,1,3-7H2,(H,11,13)/t8-,9+/m0/s1
InChIKeyPGBPRXWFZLSJGD-DTWKUNHWSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds3

About N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide

N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide (PubChem CID 166414523) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide
PubChem CID166414523
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H17NO2/c1-2-10(13)11-7-8-5-3-4-6-9(8)12/h2,8-9,12H,1,3-7H2,(H,11,13)/t8-,9+/m0/s1
InChIKeyPGBPRXWFZLSJGD-DTWKUNHWSA-N
XLogP0.84
TPSA49.33 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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-{[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl}prop-2-enamide
CID 126821498
N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide
CID 166415805
N-[(2-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 22975181
N-(2-ethyl-1-hydroxyhexyl)prop-2-enamide
CID 53742378
N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
CID 57165167
N-[cyclohexyl(hydroxy)methyl]prop-2-enamide
CID 57207011
N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide
CID 59042998
N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 64927495
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide
CID 67473370
N-(4-hydroxy-2-methylcyclohexyl)prop-2-enamide
CID 67745042
N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide
CID 87108274
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide?
The IUPAC name of N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide (CID 166414523) is N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide is C=CC(=O)NC[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide?
The InChIKey is PGBPRXWFZLSJGD-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-10(13)11-7-8-5-3-4-6-9(8)12/h2,8-9,12H,1,3-7H2,(H,11,13)/t8-,9+/m0/s1.
What are the key properties of N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide?
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]prop-2-enamide is sourced from PubChem (CID 166414523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).