(E)-N-(4-hydroxycyclohexyl)but-2-enamide

C10H17NO2 — CID 43389236

IUPAC(E)-N-(4-hydroxycyclohexyl)but-2-enamide
SMILESC/C=C/C(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H17NO2/c1-2-3-10(13)11-8-4-6-9(12)7-5-8/h2-3,8-9,12H,4-7H2,1H3,(H,11,13)/b3-2+
InChIKeyZNNAMBDNMUEQBT-NSCUHMNNSA-N
MW183.25 g/mol
LogP0.98
Rot. Bonds2

About (E)-N-(4-hydroxycyclohexyl)but-2-enamide

(E)-N-(4-hydroxycyclohexyl)but-2-enamide (PubChem CID 43389236) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-N-(4-hydroxycyclohexyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-hydroxycyclohexyl)but-2-enamide
PubChem CID43389236
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-N-(4-hydroxycyclohexyl)but-2-enamide
SMILESC/C=C/C(=O)NC1CCC(O)CC1
InChIInChI=1S/C10H17NO2/c1-2-3-10(13)11-8-4-6-9(12)7-5-8/h2-3,8-9,12H,4-7H2,1H3,(H,11,13)/b3-2+
InChIKeyZNNAMBDNMUEQBT-NSCUHMNNSA-N
XLogP0.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.98
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-hydroxycyclohexyl)but-2-enamide?
The IUPAC name of (E)-N-(4-hydroxycyclohexyl)but-2-enamide (CID 43389236) is (E)-N-(4-hydroxycyclohexyl)but-2-enamide.
What is the SMILES notation for (E)-N-(4-hydroxycyclohexyl)but-2-enamide?
The canonical SMILES for (E)-N-(4-hydroxycyclohexyl)but-2-enamide is C/C=C/C(=O)NC1CCC(O)CC1.
What is the InChIKey of (E)-N-(4-hydroxycyclohexyl)but-2-enamide?
The InChIKey is ZNNAMBDNMUEQBT-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-10(13)11-8-4-6-9(12)7-5-8/h2-3,8-9,12H,4-7H2,1H3,(H,11,13)/b3-2+.
What are the key properties of (E)-N-(4-hydroxycyclohexyl)but-2-enamide?
(E)-N-(4-hydroxycyclohexyl)but-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-hydroxycyclohexyl)but-2-enamide is sourced from PubChem (CID 43389236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).