N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide

C10H17NO2 — CID 43417697

IUPACN-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCCO)C1CC=CCC1
InChIInChI=1S/C10H17NO2/c12-8-4-7-11-10(13)9-5-2-1-3-6-9/h1-2,9,12H,3-8H2,(H,11,13)
InChIKeyBJOJQZAYCMTBEL-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds4

About N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide

N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 43417697) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide
PubChem CID43417697
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCCO)C1CC=CCC1
InChIInChI=1S/C10H17NO2/c12-8-4-7-11-10(13)9-5-2-1-3-6-9/h1-2,9,12H,3-8H2,(H,11,13)
InChIKeyBJOJQZAYCMTBEL-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-propyl)arachidonoylamide
CID 5283403
alpha-Methyl anandamide
CID 5283455
2-Isopropylarachidonoyl-(2'-hydroxyethyl)amide
CID 5283458
N-(17-methyl-5Z,8Z,11Z,14Z-docosatetraenoyl)-ethanolamine
CID 5283465
(r)-n-(1-Methyl-2-hydroxyethyl)-2-(r)-methyl-arachidonamide
CID 10407148
(2S,5Z,8Z,11Z,14Z)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylicosa-5,8,11,14-tetraenamide
CID 44347216
(2R,5Z,8Z,11Z,14Z)-N-[(2S)-1-hydroxypropan-2-yl]-2-methylicosa-5,8,11,14-tetraenamide
CID 44347229
(2S,5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-2-methylicosa-5,8,11,14-tetraenamide
CID 44347231
N-(3-hydroxypropyl)icosa-5,8,11,14-tetraenamide
CID 49823674
N-(2-hydroxyethyl)-2-methylicosa-5,8,11,14-tetraenamide
CID 49823675
R-alpha-isopropyl anandamide
CID 129866076
N-(2-hydroxyethyl)-2-propan-2-ylicosa-5,8,11,14-tetraenamide
CID 49824027

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide (CID 43417697) is N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide is O=C(NCCCO)C1CC=CCC1.
What is the InChIKey of N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is BJOJQZAYCMTBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-8-4-7-11-10(13)9-5-2-1-3-6-9/h1-2,9,12H,3-8H2,(H,11,13).
What are the key properties of N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide?
N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 43417697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).