2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone

C16H13NO2 — CID 57231777

IUPAC2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone
SMILES[H]/N=C/C(=O)C1(C)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C16H13NO2/c1-16(15(18)10-17)13-8-4-2-6-11(13)12-7-3-5-9-14(12)19-16/h2-10,17H,1H3/b17-10+
InChIKeyBATWJGZFRXHIGE-LICLKQGHSA-N
MW251.29 g/mol
LogP3.18
Rot. Bonds2

About 2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone

2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone (PubChem CID 57231777) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone.

Molecular Properties

Compound Name2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone
PubChem CID57231777
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone
SMILES[H]/N=C/C(=O)C1(C)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C16H13NO2/c1-16(15(18)10-17)13-8-4-2-6-11(13)12-7-3-5-9-14(12)19-16/h2-10,17H,1H3/b17-10+
InChIKeyBATWJGZFRXHIGE-LICLKQGHSA-N
XLogP3.18
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-3-methylidene-1-benzofuran-2-carboxylic acid
CID 86339718
6,6-dimethylbenzo[c]chromene-9-carboxylic acid
CID 90880193
1-(2,2-dimethylchromen-4-yl)ethanone;ethane
CID 91394959
(2E)-2-(2,2-dimethyl-3H-1,3-benzoxazin-4-ylidene)-1-(2-methylsulfanylphenyl)ethanone
CID 10286546
2-imino-1-(1-phenylcyclohexyl)ethanone
CID 90858515
(2E)-2-(2,2-dimethyl-3H-1,3-benzoxazin-4-ylidene)-1-(2-methylcyclohexyl)ethanone
CID 10236502
ethane;9-fluoro-9-methylfluorene
CID 163249751
9-methyl-9-prop-1-en-2-ylfluorene
CID 10911089
ethane;2,2,3,3-tetramethyl-1-benzofuran
CID 144945453
6,6-dimethylnaphtho[2,3-c]chromene
CID 59403858
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
methane;9-methylfluoren-9-ol
CID 160708378

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone?
The IUPAC name of 2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone (CID 57231777) is 2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone.
What is the SMILES notation for 2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone?
The canonical SMILES for 2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone is [H]/N=C/C(=O)C1(C)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone?
The InChIKey is BATWJGZFRXHIGE-LICLKQGHSA-N. The full InChI is InChI=1S/C16H13NO2/c1-16(15(18)10-17)13-8-4-2-6-11(13)12-7-3-5-9-14(12)19-16/h2-10,17H,1H3/b17-10+.
What are the key properties of 2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone?
2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone has a molecular weight of 251.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-(6-methylbenzo[c]chromen-6-yl)ethanone is sourced from PubChem (CID 57231777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).