methyl 2-iminochromene-3-carboxylate

C11H9NO3 — CID 12862902

IUPACmethyl 2-iminochromene-3-carboxylate
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)OC
InChIInChI=1S/C11H9NO3/c1-14-11(13)8-6-7-4-2-3-5-9(7)15-10(8)12/h2-6,12H,1H3/b12-10-
InChIKeyMWWYAQQIOLLBTQ-BENRWUELSA-N
MW203.20 g/mol
LogP1.70
Rot. Bonds1

About methyl 2-iminochromene-3-carboxylate

methyl 2-iminochromene-3-carboxylate (PubChem CID 12862902) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is methyl 2-iminochromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-iminochromene-3-carboxylate
PubChem CID12862902
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Namemethyl 2-iminochromene-3-carboxylate
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)OC
InChIInChI=1S/C11H9NO3/c1-14-11(13)8-6-7-4-2-3-5-9(7)15-10(8)12/h2-6,12H,1H3/b12-10-
InChIKeyMWWYAQQIOLLBTQ-BENRWUELSA-N
XLogP1.70
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-carbamoyl-2-[(2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 4511953
2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide
CID 19288940
N-[(Z)-benzylideneamino]-2-iminochromene-3-carboxamide
CID 5453496
2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 3514997
2-imino-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 3245498
7-hydroxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 135531975
methyl 5-benzyl-2-[(6-bromo-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19573832
(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707731
ethyl 2-[(2-iminochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19572149
6-chloro-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573962
3-(4-methylphenyl)chromen-2-imine
CID 10657405
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757

Frequently Asked Questions

What is the IUPAC name of methyl 2-iminochromene-3-carboxylate?
The IUPAC name of methyl 2-iminochromene-3-carboxylate (CID 12862902) is methyl 2-iminochromene-3-carboxylate.
What is the SMILES notation for methyl 2-iminochromene-3-carboxylate?
The canonical SMILES for methyl 2-iminochromene-3-carboxylate is [H]/N=c1\oc2ccccc2cc1C(=O)OC.
What is the InChIKey of methyl 2-iminochromene-3-carboxylate?
The InChIKey is MWWYAQQIOLLBTQ-BENRWUELSA-N. The full InChI is InChI=1S/C11H9NO3/c1-14-11(13)8-6-7-4-2-3-5-9(7)15-10(8)12/h2-6,12H,1H3/b12-10-.
What are the key properties of methyl 2-iminochromene-3-carboxylate?
methyl 2-iminochromene-3-carboxylate has a molecular weight of 203.20 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-iminochromene-3-carboxylate is sourced from PubChem (CID 12862902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).