6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide

C11H12N2O3 — CID 175567274

IUPAC6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide
SMILESC=CC(=O)NC=C1C=CC=C(C(N)=O)C1O
InChIInChI=1S/C11H12N2O3/c1-2-9(14)13-6-7-4-3-5-8(10(7)15)11(12)16/h2-6,10,15H,1H2,(H2,12,16)(H,13,14)
InChIKeyUXEFAYMKYRZDAP-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.49
Rot. Bonds3

About 6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide

6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 175567274) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide
PubChem CID175567274
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide
SMILESC=CC(=O)NC=C1C=CC=C(C(N)=O)C1O
InChIInChI=1S/C11H12N2O3/c1-2-9(14)13-6-7-4-3-5-8(10(7)15)11(12)16/h2-6,10,15H,1H2,(H2,12,16)(H,13,14)
InChIKeyUXEFAYMKYRZDAP-UHFFFAOYSA-N
XLogP-0.49
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide (CID 175567274) is 6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide is C=CC(=O)NC=C1C=CC=C(C(N)=O)C1O.
What is the InChIKey of 6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is UXEFAYMKYRZDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-9(14)13-6-7-4-3-5-8(10(7)15)11(12)16/h2-6,10,15H,1H2,(H2,12,16)(H,13,14).
What are the key properties of 6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide?
6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 220.23 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[(prop-2-enoylamino)methylidene]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 175567274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).