4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile

C11H12N2O — CID 55273180

IUPAC4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile
SMILESCc1c(C#N)ccc2c1OCCC2N
InChIInChI=1S/C11H12N2O/c1-7-8(6-12)2-3-9-10(13)4-5-14-11(7)9/h2-3,10H,4-5,13H2,1H3
InChIKeyIBVFYLAMVREHJZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.65
Rot. Bonds

About 4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile

4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile (PubChem CID 55273180) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile.

Molecular Properties

Compound Name4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile
PubChem CID55273180
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile
SMILESCc1c(C#N)ccc2c1OCCC2N
InChIInChI=1S/C11H12N2O/c1-7-8(6-12)2-3-9-10(13)4-5-14-11(7)9/h2-3,10H,4-5,13H2,1H3
InChIKeyIBVFYLAMVREHJZ-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-amino-4-methyl-2,3-dihydro-1H-indene-5-carbonitrile
CID 59461618
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid
CID 171252203
4-amino-8-iodo-3,4-dihydro-2H-chromene-5-carbonitrile
CID 130044531
(4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile
CID 130665310
(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine
CID 130609322
(3S)-3-amino-7-chloro-2,3-dihydro-1-benzofuran-6-carbonitrile
CID 130978923
(4S)-8-N,8-N-dimethyl-3,4-dihydro-2H-chromene-4,8-diamine
CID 130673760
(4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 130613783
(4S)-3,4,7,8,9,10-hexahydro-2H-benzo[h]chromen-4-amine
CID 129373275
(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
CID 131161469
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile?
The IUPAC name of 4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile (CID 55273180) is 4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile.
What is the SMILES notation for 4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile?
The canonical SMILES for 4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile is Cc1c(C#N)ccc2c1OCCC2N.
What is the InChIKey of 4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile?
The InChIKey is IBVFYLAMVREHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-8(6-12)2-3-9-10(13)4-5-14-11(7)9/h2-3,10H,4-5,13H2,1H3.
What are the key properties of 4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile?
4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carbonitrile is sourced from PubChem (CID 55273180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).