N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide

C10H15NO2 — CID 126719938

IUPACN-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1=CC=C(C(=O)NCCO)CC1
InChIInChI=1S/C10H15NO2/c1-8-2-4-9(5-3-8)10(13)11-6-7-12/h2,4,12H,3,5-7H2,1H3,(H,11,13)
InChIKeyQOPHTWITYZSUNE-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.76
Rot. Bonds3

About N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide

N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 126719938) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID126719938
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1=CC=C(C(=O)NCCO)CC1
InChIInChI=1S/C10H15NO2/c1-8-2-4-9(5-3-8)10(13)11-6-7-12/h2,4,12H,3,5-7H2,1H3,(H,11,13)
InChIKeyQOPHTWITYZSUNE-UHFFFAOYSA-N
XLogP0.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-N-(2-hydroxyethyl)-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 169847077
(E)-N-(2-hydroxyethyl)-2-methyl-3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]prop-2-enamide
CID 11436615
N-(2-hydroxyethyl)cyclobutene-1-carboxamide
CID 24802880
N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 69866922
N-(2-methoxyethyl)-2-methylcyclohexa-1,3-diene-1-carboxamide
CID 89049356
N-(1-hydroxypropan-2-yl)-2-methylcyclohexa-1,3-diene-1-carboxamide
CID 89049441
(4R)-N-(2-hydroxyethyl)-4-prop-1-en-2-ylcyclohexene-1-carboxamide
CID 91346857
4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide
CID 129121170
3-[3-(2-hydroxyethylamino)propyl]-1H-pyridin-2-one
CID 141339787
N-(2-hydroxyethyl)-2-(6-oxo-1H-pyridin-3-yl)acetamide
CID 141821380
ethane;(2E)-2-ethylidene-N-(2-hydroxyethyl)hex-5-enamide;(3E,5E,7E)-5-methylnona-1,3,5,7-tetraene;propane
CID 143912649
(2E,4Z,7Z)-N-(1-hydroxypropan-2-yl)-N',N'-dimethyl-6-methylidenetrideca-2,4,7-trienediamide
CID 145136940

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide (CID 126719938) is N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide is CC1=CC=C(C(=O)NCCO)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is QOPHTWITYZSUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8-2-4-9(5-3-8)10(13)11-6-7-12/h2,4,12H,3,5-7H2,1H3,(H,11,13).
What are the key properties of N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide?
N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 181.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 126719938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).