(6-aminocyclohexa-2,4-dien-1-ylidene)methanone

C7H7NO — CID 87556812

IUPAC(6-aminocyclohexa-2,4-dien-1-ylidene)methanone
SMILESNC1C=CC=CC1=C=O
InChIInChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-4,7H,8H2
InChIKeyOMHYZSGNUMNNAK-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.20
Rot. Bonds

About (6-aminocyclohexa-2,4-dien-1-ylidene)methanone

(6-aminocyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 87556812) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is (6-aminocyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(6-aminocyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID87556812
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name(6-aminocyclohexa-2,4-dien-1-ylidene)methanone
SMILESNC1C=CC=CC1=C=O
InChIInChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-4,7H,8H2
InChIKeyOMHYZSGNUMNNAK-UHFFFAOYSA-N
XLogP0.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-aminocyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (6-aminocyclohexa-2,4-dien-1-ylidene)methanone (CID 87556812) is (6-aminocyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (6-aminocyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (6-aminocyclohexa-2,4-dien-1-ylidene)methanone is NC1C=CC=CC1=C=O.
What is the InChIKey of (6-aminocyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is OMHYZSGNUMNNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c8-7-4-2-1-3-6(7)5-9/h1-4,7H,8H2.
What are the key properties of (6-aminocyclohexa-2,4-dien-1-ylidene)methanone?
(6-aminocyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 121.14 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-aminocyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 87556812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).