1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide

C11H18N2O3 — CID 141418328

IUPAC1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CC(O)C2)CCCCC1
InChIInChI=1S/C11H18N2O3/c12-9(15)11(4-2-1-3-5-11)10(16)13-6-8(14)7-13/h8,14H,1-7H2,(H2,12,15)
InChIKeyHOVVOOZCXAKXOI-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.37
Rot. Bonds2

About 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide

1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 141418328) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID141418328
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(C(=O)N2CC(O)C2)CCCCC1
InChIInChI=1S/C11H18N2O3/c12-9(15)11(4-2-1-3-5-11)10(16)13-6-8(14)7-13/h8,14H,1-7H2,(H2,12,15)
InChIKeyHOVVOOZCXAKXOI-UHFFFAOYSA-N
XLogP-0.37
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide (CID 141418328) is 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide is NC(=O)C1(C(=O)N2CC(O)C2)CCCCC1.
What is the InChIKey of 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is HOVVOOZCXAKXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c12-9(15)11(4-2-1-3-5-11)10(16)13-6-8(14)7-13/h8,14H,1-7H2,(H2,12,15).
What are the key properties of 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide?
1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 226.28 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 141418328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).