N-[cyclohexyl(hydroxy)methyl]prop-2-enamide

C10H17NO2 — CID 57207011

IUPACN-[cyclohexyl(hydroxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)C1CCCCC1
InChIInChI=1S/C10H17NO2/c1-2-9(12)11-10(13)8-6-4-3-5-7-8/h2,8,10,13H,1,3-7H2,(H,11,12)
InChIKeyCWTFPDWNWYWULX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.19
Rot. Bonds3

About N-[cyclohexyl(hydroxy)methyl]prop-2-enamide

N-[cyclohexyl(hydroxy)methyl]prop-2-enamide (PubChem CID 57207011) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[cyclohexyl(hydroxy)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[cyclohexyl(hydroxy)methyl]prop-2-enamide
PubChem CID57207011
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[cyclohexyl(hydroxy)methyl]prop-2-enamide
SMILESC=CC(=O)NC(O)C1CCCCC1
InChIInChI=1S/C10H17NO2/c1-2-9(12)11-10(13)8-6-4-3-5-7-8/h2,8,10,13H,1,3-7H2,(H,11,12)
InChIKeyCWTFPDWNWYWULX-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide
CID 166415805
N-[4-(2-cyclohexylethoxy)butyl]prop-2-enamide
CID 20214071
N-[4-(cyclohexylmethoxy)butyl]prop-2-enamide
CID 20214495
N-(2-ethyl-1-hydroxyhexyl)prop-2-enamide
CID 53742378
N-(2-ethyl-1-hydroxyhexyl)-2-methylprop-2-enamide
CID 54440875
N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
CID 57165167
N-(2-ethyl-3-hydroxyhexyl)prop-2-enamide
CID 87108274
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide
CID 121383948
N-(12-hydroxydodecyl)prop-2-enamide
CID 140604622
N-[2-(1-hydroxyethyl)hexyl]prop-2-enamide
CID 142644638
N-[2-[1-(3,4-dihydroxybutyl)cyclohexyl]ethyl]prop-2-enamide
CID 151144056

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(hydroxy)methyl]prop-2-enamide?
The IUPAC name of N-[cyclohexyl(hydroxy)methyl]prop-2-enamide (CID 57207011) is N-[cyclohexyl(hydroxy)methyl]prop-2-enamide.
What is the SMILES notation for N-[cyclohexyl(hydroxy)methyl]prop-2-enamide?
The canonical SMILES for N-[cyclohexyl(hydroxy)methyl]prop-2-enamide is C=CC(=O)NC(O)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(hydroxy)methyl]prop-2-enamide?
The InChIKey is CWTFPDWNWYWULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-9(12)11-10(13)8-6-4-3-5-7-8/h2,8,10,13H,1,3-7H2,(H,11,12).
What are the key properties of N-[cyclohexyl(hydroxy)methyl]prop-2-enamide?
N-[cyclohexyl(hydroxy)methyl]prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(hydroxy)methyl]prop-2-enamide is sourced from PubChem (CID 57207011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).