2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile

C11H12N2O — CID 62367299

IUPAC2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
SMILESN#CCNC1CCOc2ccccc21
InChIInChI=1S/C11H12N2O/c12-6-7-13-10-5-8-14-11-4-2-1-3-9(10)11/h1-4,10,13H,5,7-8H2
InChIKeyFSPSFNUCEDSXRO-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.62
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile

2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile (PubChem CID 62367299) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
PubChem CID62367299
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
SMILESN#CCNC1CCOc2ccccc21
InChIInChI=1S/C11H12N2O/c12-6-7-13-10-5-8-14-11-4-2-1-3-9(10)11/h1-4,10,13H,5,7-8H2
InChIKeyFSPSFNUCEDSXRO-UHFFFAOYSA-N
XLogP1.62
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
(4R)-N-(3-methoxypropyl)-3,4-dihydro-2H-chromen-4-amine
CID 7287154
N'-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-yl)-N'-methylethane-1,2-diamine
CID 62977569
(4S)-N-(3,3-dimethylbutyl)-3,4-dihydro-2H-chromen-4-amine
CID 94276035
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913047
N-but-2-ynyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 115896851
N-[(2-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43221297
N-[(5-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43223509
N-(2-cyclopropylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115713897
3-(3,4-dihydro-2H-chromen-4-ylamino)-3-phenylpropanenitrile
CID 62779889
N-(2-ethylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 55063038

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile (CID 62367299) is 2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile is N#CCNC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile?
The InChIKey is FSPSFNUCEDSXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-6-7-13-10-5-8-14-11-4-2-1-3-9(10)11/h1-4,10,13H,5,7-8H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile?
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile is sourced from PubChem (CID 62367299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).