(3-aminochromen-2-ylidene)azanium

C9H9N2O+ — CID 171053524

IUPAC(3-aminochromen-2-ylidene)azanium
SMILESNc1cc2ccccc2oc1=[NH2+]
InChIInChI=1S/C9H8N2O/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,11H,10H2/p+1
InChIKeyACPYMNKXSSEXGA-UHFFFAOYSA-O
MW161.18 g/mol
LogP-0.33
Rot. Bonds

About (3-aminochromen-2-ylidene)azanium

(3-aminochromen-2-ylidene)azanium (PubChem CID 171053524) has the molecular formula C9H9N2O+ and a molecular weight of 161.18 g/mol. Its IUPAC name is (3-aminochromen-2-ylidene)azanium.

Molecular Properties

Compound Name(3-aminochromen-2-ylidene)azanium
PubChem CID171053524
Molecular FormulaC9H9N2O+
Molecular Weight161.18 g/mol
Exact Mass161.07
IUPAC Name(3-aminochromen-2-ylidene)azanium
SMILESNc1cc2ccccc2oc1=[NH2+]
InChIInChI=1S/C9H8N2O/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,11H,10H2/p+1
InChIKeyACPYMNKXSSEXGA-UHFFFAOYSA-O
XLogP-0.33
TPSA64.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 156725408
CID 156725408
(3-carbamoylchromen-2-ylidene)azanium perchlorate
CID 12862916
tetracene-2,3-diamine
CID 101108854
2-N-(1-benzofuran-2-yl)benzene-1,2-diamine
CID 70195829
N,N-dimethyl-1-benzofuran-2-amine
CID 21259133
1-benzofuran-2-ylhydrazine
CID 114737431
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
N,N-dimethyl-1-benzofuran-2-carbothioamide
CID 119087189
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)ethanone
CID 15435
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
1-benzofuran-2-carbaldehyde;methanamine
CID 143075109

Frequently Asked Questions

What is the IUPAC name of (3-aminochromen-2-ylidene)azanium?
The IUPAC name of (3-aminochromen-2-ylidene)azanium (CID 171053524) is (3-aminochromen-2-ylidene)azanium.
What is the SMILES notation for (3-aminochromen-2-ylidene)azanium?
The canonical SMILES for (3-aminochromen-2-ylidene)azanium is Nc1cc2ccccc2oc1=[NH2+].
What is the InChIKey of (3-aminochromen-2-ylidene)azanium?
The InChIKey is ACPYMNKXSSEXGA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H8N2O/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,11H,10H2/p+1.
What are the key properties of (3-aminochromen-2-ylidene)azanium?
(3-aminochromen-2-ylidene)azanium has a molecular weight of 161.18 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminochromen-2-ylidene)azanium is sourced from PubChem (CID 171053524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).