N-[(2-hydroxycyclohexyl)methyl]but-3-enamide

C11H19NO2 — CID 64911325

IUPACN-[(2-hydroxycyclohexyl)methyl]but-3-enamide
SMILESC=CCC(=O)NCC1CCCCC1O
InChIInChI=1S/C11H19NO2/c1-2-5-11(14)12-8-9-6-3-4-7-10(9)13/h2,9-10,13H,1,3-8H2,(H,12,14)
InChIKeyYHOJPESWBJIDPS-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.23
Rot. Bonds4

About N-[(2-hydroxycyclohexyl)methyl]but-3-enamide

N-[(2-hydroxycyclohexyl)methyl]but-3-enamide (PubChem CID 64911325) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]but-3-enamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]but-3-enamide
PubChem CID64911325
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]but-3-enamide
SMILESC=CCC(=O)NCC1CCCCC1O
InChIInChI=1S/C11H19NO2/c1-2-5-11(14)12-8-9-6-3-4-7-10(9)13/h2,9-10,13H,1,3-8H2,(H,12,14)
InChIKeyYHOJPESWBJIDPS-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]but-3-enamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]but-3-enamide (CID 64911325) is N-[(2-hydroxycyclohexyl)methyl]but-3-enamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]but-3-enamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]but-3-enamide is C=CCC(=O)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]but-3-enamide?
The InChIKey is YHOJPESWBJIDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-5-11(14)12-8-9-6-3-4-7-10(9)13/h2,9-10,13H,1,3-8H2,(H,12,14).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]but-3-enamide?
N-[(2-hydroxycyclohexyl)methyl]but-3-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]but-3-enamide is sourced from PubChem (CID 64911325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).