N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide

C13H15N3O2 — CID 10220496

IUPACN-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide
SMILESCC1(C)Oc2ccccc2C=C1C(=O)N=C(N)N
InChIInChI=1S/C13H15N3O2/c1-13(2)9(11(17)16-12(14)15)7-8-5-3-4-6-10(8)18-13/h3-7H,1-2H3,(H4,14,15,16,17)
InChIKeyPZHYJXNAJVEHBS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.04
Rot. Bonds1

About N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide

N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide (PubChem CID 10220496) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide
PubChem CID10220496
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide
SMILESCC1(C)Oc2ccccc2C=C1C(=O)N=C(N)N
InChIInChI=1S/C13H15N3O2/c1-13(2)9(11(17)16-12(14)15)7-8-5-3-4-6-10(8)18-13/h3-7H,1-2H3,(H4,14,15,16,17)
InChIKeyPZHYJXNAJVEHBS-UHFFFAOYSA-N
XLogP1.04
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-hydroxy-2-methylchromene-3-carboxylate
CID 102081434
1-(2-methoxy-2-methylchromen-3-yl)ethanone
CID 102125757
2-(2-methoxyphenoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774404
ethyl 2-ethyl-2-(trifluoromethyl)chromene-3-carboxylate
CID 151697551
(2Z,4E)-5-(2,2-dimethylchromen-3-yl)-3-methylpenta-2,4-dienoic acid
CID 11448602
ethyl 3-hydroxy-2-methylchromene-2-carboxylate
CID 151498146
2-(methylamino)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 142774364
2-sulfanyloxy-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 141098191
2,2-dimethyl-3-(trifluoromethylsulfanyl)chromene
CID 54574474
1,1-dimethylindene-2-carboxamide
CID 174388236
2-(1,2,2-trifluoroethyl)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 174486877
(2S)-2-(2-methoxyethoxy)-2-(trifluoromethyl)chromene-3-carboxylic acid
CID 99992703

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide (CID 10220496) is N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide is CC1(C)Oc2ccccc2C=C1C(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide?
The InChIKey is PZHYJXNAJVEHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(2)9(11(17)16-12(14)15)7-8-5-3-4-6-10(8)18-13/h3-7H,1-2H3,(H4,14,15,16,17).
What are the key properties of N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide?
N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,2-dimethylchromene-3-carboxamide is sourced from PubChem (CID 10220496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).