N-(4-but-2-enylcyclohexylidene)hydroxylamine

C10H17NO — CID 76629753

IUPACN-(4-but-2-enylcyclohexylidene)hydroxylamine
SMILESCC=CCC1CCC(=NO)CC1
InChIInChI=1S/C10H17NO/c1-2-3-4-9-5-7-10(11-12)8-6-9/h2-3,9,12H,4-8H2,1H3/b3-2?,11-10-
InChIKeyMSWNXQSUEGFWBO-WCBANMTQSA-N
MW167.25 g/mol
LogP2.97
Rot. Bonds2

About N-(4-but-2-enylcyclohexylidene)hydroxylamine

N-(4-but-2-enylcyclohexylidene)hydroxylamine (PubChem CID 76629753) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(4-but-2-enylcyclohexylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4-but-2-enylcyclohexylidene)hydroxylamine
PubChem CID76629753
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(4-but-2-enylcyclohexylidene)hydroxylamine
SMILESCC=CCC1CCC(=NO)CC1
InChIInChI=1S/C10H17NO/c1-2-3-4-9-5-7-10(11-12)8-6-9/h2-3,9,12H,4-8H2,1H3/b3-2?,11-10-
InChIKeyMSWNXQSUEGFWBO-WCBANMTQSA-N
XLogP2.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 N-(4-but-2-enylcyclohexylidene)hydroxylamine?
The IUPAC name of N-(4-but-2-enylcyclohexylidene)hydroxylamine (CID 76629753) is N-(4-but-2-enylcyclohexylidene)hydroxylamine.
What is the SMILES notation for N-(4-but-2-enylcyclohexylidene)hydroxylamine?
The canonical SMILES for N-(4-but-2-enylcyclohexylidene)hydroxylamine is CC=CCC1CCC(=NO)CC1.
What is the InChIKey of N-(4-but-2-enylcyclohexylidene)hydroxylamine?
The InChIKey is MSWNXQSUEGFWBO-WCBANMTQSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-3-4-9-5-7-10(11-12)8-6-9/h2-3,9,12H,4-8H2,1H3/b3-2?,11-10-.
What are the key properties of N-(4-but-2-enylcyclohexylidene)hydroxylamine?
N-(4-but-2-enylcyclohexylidene)hydroxylamine has a molecular weight of 167.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-but-2-enylcyclohexylidene)hydroxylamine is sourced from PubChem (CID 76629753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).