N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide

C10H15NO2 — CID 159377382

IUPACN-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC(C(C)O)=CCC1
InChIInChI=1S/C10H15NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h4,6-7,12H,3,5H2,1-2H3,(H,11,13)
InChIKeyLKMJBBFEDCHISH-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.11
Rot. Bonds2

About N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide

N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide (PubChem CID 159377382) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide
PubChem CID159377382
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide
SMILESCC(=O)NC1=CC(C(C)O)=CCC1
InChIInChI=1S/C10H15NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h4,6-7,12H,3,5H2,1-2H3,(H,11,13)
InChIKeyLKMJBBFEDCHISH-UHFFFAOYSA-N
XLogP1.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The IUPAC name of N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide (CID 159377382) is N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide.
What is the SMILES notation for N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The canonical SMILES for N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide is CC(=O)NC1=CC(C(C)O)=CCC1.
What is the InChIKey of N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide?
The InChIKey is LKMJBBFEDCHISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h4,6-7,12H,3,5H2,1-2H3,(H,11,13).
What are the key properties of N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide?
N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide has a molecular weight of 181.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hydroxyethyl)cyclohexa-1,3-dien-1-yl]acetamide is sourced from PubChem (CID 159377382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).