(3-carbamoylchromen-2-ylidene)azanium perchlorate

C10H9ClN2O6 — CID 12862916

IUPAC(3-carbamoylchromen-2-ylidene)azanium perchlorate
SMILESNC(=O)c1cc2ccccc2oc1=[NH2+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H8N2O2.ClHO4/c11-9(13)7-5-6-3-1-2-4-8(6)14-10(7)12;2-1(3,4)5/h1-5,12H,(H2,11,13);(H,2,3,4,5)
InChIKeyWRLXYWOFMGYCKZ-UHFFFAOYSA-N
MW288.64 g/mol
LogP-5.56
Rot. Bonds1

About (3-carbamoylchromen-2-ylidene)azanium perchlorate

(3-carbamoylchromen-2-ylidene)azanium perchlorate (PubChem CID 12862916) has the molecular formula C10H9ClN2O6 and a molecular weight of 288.64 g/mol. Its IUPAC name is (3-carbamoylchromen-2-ylidene)azanium perchlorate.

Molecular Properties

Compound Name(3-carbamoylchromen-2-ylidene)azanium perchlorate
PubChem CID12862916
Molecular FormulaC10H9ClN2O6
Molecular Weight288.64 g/mol
Exact Mass288.01
IUPAC Name(3-carbamoylchromen-2-ylidene)azanium perchlorate
SMILESNC(=O)c1cc2ccccc2oc1=[NH2+].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H8N2O2.ClHO4/c11-9(13)7-5-6-3-1-2-4-8(6)14-10(7)12;2-1(3,4)5/h1-5,12H,(H2,11,13);(H,2,3,4,5)
InChIKeyWRLXYWOFMGYCKZ-UHFFFAOYSA-N
XLogP-5.56
TPSA174.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.64
LogP ≤ 5-5.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6-bromo-3-carbamoylchromen-2-ylidene)azanium
CID 40541342
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
(3-aminochromen-2-ylidene)azanium
CID 171053524
CID 70080980
CID 70080980
3,5-dichloro-2-(2-oxochromen-3-yl)benzamide
CID 91688749
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
2-oxochromene-3-carboxylic acid
CID 161011590
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
5-bromo-2-(2-oxochromen-3-yl)benzamide
CID 91688734
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
1-(1-benzofuran-2-yl)ethanone
CID 15435
5-(1-benzofuran-2-yl)furan-2-carboxamide
CID 90769310

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylchromen-2-ylidene)azanium perchlorate?
The IUPAC name of (3-carbamoylchromen-2-ylidene)azanium perchlorate (CID 12862916) is (3-carbamoylchromen-2-ylidene)azanium perchlorate.
What is the SMILES notation for (3-carbamoylchromen-2-ylidene)azanium perchlorate?
The canonical SMILES for (3-carbamoylchromen-2-ylidene)azanium perchlorate is NC(=O)c1cc2ccccc2oc1=[NH2+].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of (3-carbamoylchromen-2-ylidene)azanium perchlorate?
The InChIKey is WRLXYWOFMGYCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.ClHO4/c11-9(13)7-5-6-3-1-2-4-8(6)14-10(7)12;2-1(3,4)5/h1-5,12H,(H2,11,13);(H,2,3,4,5).
What are the key properties of (3-carbamoylchromen-2-ylidene)azanium perchlorate?
(3-carbamoylchromen-2-ylidene)azanium perchlorate has a molecular weight of 288.64 g/mol, XLogP of -5.56, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylchromen-2-ylidene)azanium perchlorate is sourced from PubChem (CID 12862916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).