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

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
CID 17379757
N-[2-(4-hydroxyphenyl)ethyl]-2-imino-8-methoxychromene-3-carboxamide
CID 70696536
8-ethoxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573961
N-(1,3-benzodioxol-5-ylmethyl)-2-imino-8-methoxychromene-3-carboxamide
CID 19289020
8-ethoxy-2-imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 19573973
8-hydroxy-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 19573969
methyl 2-[(2-imino-8-methoxychromene-3-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 19572171
8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide
CID 19574031
1-(7-methoxy-1-benzofuran-2-yl)propan-1-one
CID 65427049
3-(1H-benzimidazol-2-yl)-8-methoxychromen-2-imine
CID 767391
1-(2-imino-6-nitrochromen-3-yl)-2,2-dimethylpropan-1-one
CID 19288930
8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
CID 40655174

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).