1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one

C15H17NO3 — CID 19288933

IUPAC1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one
SMILES[H]/N=c1\oc2c(OC)cccc2cc1C(=O)C(C)(C)C
InChIInChI=1S/C15H17NO3/c1-15(2,3)13(17)10-8-9-6-5-7-11(18-4)12(9)19-14(10)16/h5-8,16H,1-4H3/b16-14-
InChIKeyPMMSHKFFWVFAGM-PEZBUJJGSA-N
MW259.30 g/mol
LogP3.15
Rot. Bonds2

About 1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one

1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one (PubChem CID 19288933) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one
PubChem CID19288933
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one
SMILES[H]/N=c1\oc2c(OC)cccc2cc1C(=O)C(C)(C)C
InChIInChI=1S/C15H17NO3/c1-15(2,3)13(17)10-8-9-6-5-7-11(18-4)12(9)19-14(10)16/h5-8,16H,1-4H3/b16-14-
InChIKeyPMMSHKFFWVFAGM-PEZBUJJGSA-N
XLogP3.15
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one (CID 19288933) is 1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one is [H]/N=c1\oc2c(OC)cccc2cc1C(=O)C(C)(C)C.
What is the InChIKey of 1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one?
The InChIKey is PMMSHKFFWVFAGM-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(2,3)13(17)10-8-9-6-5-7-11(18-4)12(9)19-14(10)16/h5-8,16H,1-4H3/b16-14-.
What are the key properties of 1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one?
1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one has a molecular weight of 259.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imino-8-methoxychromen-3-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 19288933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).