3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile

C12H14N2O — CID 116851252

IUPAC3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
SMILESN#CCC(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H14N2O/c13-6-5-11(14)9-3-4-12-10(8-9)2-1-7-15-12/h3-4,8,11H,1-2,5,7,14H2
InChIKeyQQDJCZMSKNMNRA-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.93
Rot. Bonds2

About 3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile

3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile (PubChem CID 116851252) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
PubChem CID116851252
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
SMILESN#CCC(N)c1ccc2c(c1)CCCO2
InChIInChI=1S/C12H14N2O/c13-6-5-11(14)9-3-4-12-10(8-9)2-1-7-15-12/h3-4,8,11H,1-2,5,7,14H2
InChIKeyQQDJCZMSKNMNRA-UHFFFAOYSA-N
XLogP1.93
TPSA59.04 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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116851211
4-amino-4-(2,3-dihydro-1-benzofuran-5-yl)butanenitrile
CID 116940064
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile
CID 116942980
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)pentanamide
CID 54907654
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
1,3-diamino-1-(3,4-dihydro-2H-chromen-6-yl)propan-2-ol
CID 116942558
1-(3,4-dihydro-2H-chromen-6-yl)-2-(4-methoxyphenyl)ethanamine
CID 61026713
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
CID 65297971
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
5-amino-5-(3,4-dihydro-2H-chromen-6-yl)-3,3-dimethylpentanamide
CID 62932981

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile?
The IUPAC name of 3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile (CID 116851252) is 3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile.
What is the SMILES notation for 3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile?
The canonical SMILES for 3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile is N#CCC(N)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile?
The InChIKey is QQDJCZMSKNMNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-6-5-11(14)9-3-4-12-10(8-9)2-1-7-15-12/h3-4,8,11H,1-2,5,7,14H2.
What are the key properties of 3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile?
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile has a molecular weight of 202.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile is sourced from PubChem (CID 116851252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).