(3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile

C12H14N2O — CID 69367504

IUPAC(3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile
SMILESCCN[C@@H]1COc2ccc(C#N)cc2C1
InChIInChI=1S/C12H14N2O/c1-2-14-11-6-10-5-9(7-13)3-4-12(10)15-8-11/h3-5,11,14H,2,6,8H2,1H3/t11-/m0/s1
InChIKeyBILGDCZDGOGKLC-NSHDSACASA-N
MW202.26 g/mol
LogP1.47
Rot. Bonds2

About (3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile

(3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile (PubChem CID 69367504) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile.

Molecular Properties

Compound Name(3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile
PubChem CID69367504
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile
SMILESCCN[C@@H]1COc2ccc(C#N)cc2C1
InChIInChI=1S/C12H14N2O/c1-2-14-11-6-10-5-9(7-13)3-4-12(10)15-8-11/h3-5,11,14H,2,6,8H2,1H3/t11-/m0/s1
InChIKeyBILGDCZDGOGKLC-NSHDSACASA-N
XLogP1.47
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-3,4-dihydro-2H-chromene-6-carbonitrile
CID 500476
(6S)-6-(ethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 177054072
(3S)-3-[benzyl(ethyl)amino]-3,4-dihydro-2H-chromene-6-carbonitrile
CID 69367669
N-[(3R)-6-cyano-3,4-dihydro-2H-chromen-3-yl]-2-(cyclopropylmethoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 177272967
4-ethyl-3,4-dihydro-2H-chromene-6-carbonitrile
CID 67574974
3-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzonitrile
CID 62712716
3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile
CID 102491716
3-(hydroxymethyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-carbonitrile
CID 84620168
N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
CID 115887352
N-(5-cyano-2,3-dihydro-1H-inden-2-yl)acetamide
CID 163915439
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45221354
N-(6-cyano-3,4-dihydro-2H-chromen-3-yl)-5-[2-(difluoromethoxy)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 167414003

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile?
The IUPAC name of (3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile (CID 69367504) is (3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile.
What is the SMILES notation for (3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile?
The canonical SMILES for (3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile is CCN[C@@H]1COc2ccc(C#N)cc2C1.
What is the InChIKey of (3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile?
The InChIKey is BILGDCZDGOGKLC-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-14-11-6-10-5-9(7-13)3-4-12(10)15-8-11/h3-5,11,14H,2,6,8H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile?
(3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(ethylamino)-3,4-dihydro-2H-chromene-6-carbonitrile is sourced from PubChem (CID 69367504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).