(3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide

C10H19N3O2 — CID 43370678

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide
SMILESCC1CCCC(NC(=O)C/C(N)=N/O)C1
InChIInChI=1S/C10H19N3O2/c1-7-3-2-4-8(5-7)12-10(14)6-9(11)13-15/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyFEUJMQSZUIKNFM-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.82
Rot. Bonds3

About (3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide (PubChem CID 43370678) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide
PubChem CID43370678
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide
SMILESCC1CCCC(NC(=O)C/C(N)=N/O)C1
InChIInChI=1S/C10H19N3O2/c1-7-3-2-4-8(5-7)12-10(14)6-9(11)13-15/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyFEUJMQSZUIKNFM-UHFFFAOYSA-N
XLogP0.82
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide (CID 43370678) is (3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide is CC1CCCC(NC(=O)C/C(N)=N/O)C1.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide?
The InChIKey is FEUJMQSZUIKNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7-3-2-4-8(5-7)12-10(14)6-9(11)13-15/h7-8,15H,2-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide has a molecular weight of 213.28 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(3-methylcyclohexyl)propanamide is sourced from PubChem (CID 43370678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).