4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile

C11H12N2O — CID 104524420

IUPAC4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile
SMILESCC1COc2ccccc2C1(N)C#N
InChIInChI=1S/C11H12N2O/c1-8-6-14-10-5-3-2-4-9(10)11(8,13)7-12/h2-5,8H,6,13H2,1H3
InChIKeyDFEDFFZCMIERGU-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.39
Rot. Bonds

About 4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile

4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile (PubChem CID 104524420) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile.

Molecular Properties

Compound Name4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile
PubChem CID104524420
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile
SMILESCC1COc2ccccc2C1(N)C#N
InChIInChI=1S/C11H12N2O/c1-8-6-14-10-5-3-2-4-9(10)11(8,13)7-12/h2-5,8H,6,13H2,1H3
InChIKeyDFEDFFZCMIERGU-UHFFFAOYSA-N
XLogP1.39
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524636
3-methyl-4-(prop-2-ynylamino)-2,3-dihydrochromene-4-carbonitrile
CID 104524469
3-methyl-4-(4-methylpiperazin-1-yl)-2,3-dihydrochromene-4-carbonitrile
CID 104524680
4-(2-bromoanilino)-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524437
4-(3-hydroxypropoxy)-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 103376405
3-methyl-4-(thiophen-2-ylmethylamino)-2,3-dihydrochromene-4-carbonitrile
CID 104524441
4-(3-chloroanilino)-3-methyl-2,3-dihydrochromene-4-carbonitrile
CID 104524433
2-[4-(1-aminoethyl)-3-methyl-2,3-dihydrochromen-4-yl]ethanol
CID 104524932
3-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)-2,3-dihydrochromen-4-amine
CID 104524640
3-methyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2,3-dihydrochromen-4-amine
CID 104524643
ethyl 2-[4-(dimethylamino)-3-methyl-2,3-dihydrochromen-4-yl]acetate
CID 104524790
3',5-dimethylspiro[1,3-thiazolidine-2,4'-2,3-dihydrochromene]
CID 104524724

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile?
The IUPAC name of 4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile (CID 104524420) is 4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile.
What is the SMILES notation for 4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile?
The canonical SMILES for 4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile is CC1COc2ccccc2C1(N)C#N.
What is the InChIKey of 4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile?
The InChIKey is DFEDFFZCMIERGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-6-14-10-5-3-2-4-9(10)11(8,13)7-12/h2-5,8H,6,13H2,1H3.
What are the key properties of 4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile?
4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-2,3-dihydrochromene-4-carbonitrile is sourced from PubChem (CID 104524420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).