N-(1-hydroxycyclohexyl)prop-2-enamide

C9H15NO2 — CID 18433901

IUPACN-(1-hydroxycyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1(O)CCCCC1
InChIInChI=1S/C9H15NO2/c1-2-8(11)10-9(12)6-4-3-5-7-9/h2,12H,1,3-7H2,(H,10,11)
InChIKeyJMLWFIFNTHFYDP-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.94
Rot. Bonds2

About N-(1-hydroxycyclohexyl)prop-2-enamide

N-(1-hydroxycyclohexyl)prop-2-enamide (PubChem CID 18433901) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(1-hydroxycyclohexyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxycyclohexyl)prop-2-enamide
PubChem CID18433901
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(1-hydroxycyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1(O)CCCCC1
InChIInChI=1S/C9H15NO2/c1-2-8(11)10-9(12)6-4-3-5-7-9/h2,12H,1,3-7H2,(H,10,11)
InChIKeyJMLWFIFNTHFYDP-UHFFFAOYSA-N
XLogP0.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.94
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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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxycyclohexyl)prop-2-enamide?
The IUPAC name of N-(1-hydroxycyclohexyl)prop-2-enamide (CID 18433901) is N-(1-hydroxycyclohexyl)prop-2-enamide.
What is the SMILES notation for N-(1-hydroxycyclohexyl)prop-2-enamide?
The canonical SMILES for N-(1-hydroxycyclohexyl)prop-2-enamide is C=CC(=O)NC1(O)CCCCC1.
What is the InChIKey of N-(1-hydroxycyclohexyl)prop-2-enamide?
The InChIKey is JMLWFIFNTHFYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-8(11)10-9(12)6-4-3-5-7-9/h2,12H,1,3-7H2,(H,10,11).
What are the key properties of N-(1-hydroxycyclohexyl)prop-2-enamide?
N-(1-hydroxycyclohexyl)prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxycyclohexyl)prop-2-enamide is sourced from PubChem (CID 18433901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).