(NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine

C7H9NO — CID 123246607

IUPAC(NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine
SMILESCC1=CC=C(/C=N\O)C1
InChIInChI=1S/C7H9NO/c1-6-2-3-7(4-6)5-8-9/h2-3,5,9H,4H2,1H3/b8-5-
InChIKeyDEEJHADWWZIDBY-YVMONPNESA-N
MW123.15 g/mol
LogP1.72
Rot. Bonds1

About (NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine

(NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine (PubChem CID 123246607) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine
PubChem CID123246607
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine
SMILESCC1=CC=C(/C=N\O)C1
InChIInChI=1S/C7H9NO/c1-6-2-3-7(4-6)5-8-9/h2-3,5,9H,4H2,1H3/b8-5-
InChIKeyDEEJHADWWZIDBY-YVMONPNESA-N
XLogP1.72
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.72
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 (NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine (CID 123246607) is (NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine is CC1=CC=C(/C=N\O)C1.
What is the InChIKey of (NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine?
The InChIKey is DEEJHADWWZIDBY-YVMONPNESA-N. The full InChI is InChI=1S/C7H9NO/c1-6-2-3-7(4-6)5-8-9/h2-3,5,9H,4H2,1H3/b8-5-.
What are the key properties of (NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine?
(NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine has a molecular weight of 123.15 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine is sourced from PubChem (CID 123246607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).