2-iminochromene-3-carboxamide

C10H8N2O2 — CID 598873

IUPAC2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(N)=O
InChIInChI=1S/C10H8N2O2/c11-9(13)7-5-6-3-1-2-4-8(6)14-10(7)12/h1-5,12H,(H2,11,13)/b12-10-
InChIKeyAPPXOPKWRCEMGW-BENRWUELSA-N
MW188.19 g/mol
LogP1.01
Rot. Bonds1

About 2-iminochromene-3-carboxamide

2-iminochromene-3-carboxamide (PubChem CID 598873) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-iminochromene-3-carboxamide.

Molecular Properties

Compound Name2-iminochromene-3-carboxamide
PubChem CID598873
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(N)=O
InChIInChI=1S/C10H8N2O2/c11-9(13)7-5-6-3-1-2-4-8(6)14-10(7)12/h1-5,12H,(H2,11,13)/b12-10-
InChIKeyAPPXOPKWRCEMGW-BENRWUELSA-N
XLogP1.01
TPSA80.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-iminochromene-3-carboxamide?
The IUPAC name of 2-iminochromene-3-carboxamide (CID 598873) is 2-iminochromene-3-carboxamide.
What is the SMILES notation for 2-iminochromene-3-carboxamide?
The canonical SMILES for 2-iminochromene-3-carboxamide is [H]/N=c1\oc2ccccc2cc1C(N)=O.
What is the InChIKey of 2-iminochromene-3-carboxamide?
The InChIKey is APPXOPKWRCEMGW-BENRWUELSA-N. The full InChI is InChI=1S/C10H8N2O2/c11-9(13)7-5-6-3-1-2-4-8(6)14-10(7)12/h1-5,12H,(H2,11,13)/b12-10-.
What are the key properties of 2-iminochromene-3-carboxamide?
2-iminochromene-3-carboxamide has a molecular weight of 188.19 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminochromene-3-carboxamide is sourced from PubChem (CID 598873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).