N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine

C6H9NO — CID 86248095

IUPACN-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine
SMILESCC1=CC(=NO)CC1
InChIInChI=1S/C6H9NO/c1-5-2-3-6(4-5)7-8/h4,8H,2-3H2,1H3
InChIKeyKLYYUSBYZPLGJW-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.56
Rot. Bonds

About N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine

N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine (PubChem CID 86248095) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine
PubChem CID86248095
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC NameN-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine
SMILESCC1=CC(=NO)CC1
InChIInChI=1S/C6H9NO/c1-5-2-3-6(4-5)7-8/h4,8H,2-3H2,1H3
InChIKeyKLYYUSBYZPLGJW-UHFFFAOYSA-N
XLogP1.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine?
The IUPAC name of N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine (CID 86248095) is N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine.
What is the SMILES notation for N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine?
The canonical SMILES for N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine is CC1=CC(=NO)CC1.
What is the InChIKey of N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine?
The InChIKey is KLYYUSBYZPLGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5-2-3-6(4-5)7-8/h4,8H,2-3H2,1H3.
What are the key properties of N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine?
N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine has a molecular weight of 111.14 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopent-2-en-1-ylidene)hydroxylamine is sourced from PubChem (CID 86248095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).