(1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile

C17H16N2O — CID 124672186

IUPAC(1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile
SMILESCC(C)[C@H]1C(C#N)=C(N)Oc2ccc3ccccc3c21
InChIInChI=1S/C17H16N2O/c1-10(2)15-13(9-18)17(19)20-14-8-7-11-5-3-4-6-12(11)16(14)15/h3-8,10,15H,19H2,1-2H3/t15-/m0/s1
InChIKeyOLRHZBDMYHEVOK-HNNXBMFYSA-N
MW264.33 g/mol
LogP3.67
Rot. Bonds1

About (1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile

(1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile (PubChem CID 124672186) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile.

Molecular Properties

Compound Name(1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile
PubChem CID124672186
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile
SMILESCC(C)[C@H]1C(C#N)=C(N)Oc2ccc3ccccc3c21
InChIInChI=1S/C17H16N2O/c1-10(2)15-13(9-18)17(19)20-14-8-7-11-5-3-4-6-12(11)16(14)15/h3-8,10,15H,19H2,1-2H3/t15-/m0/s1
InChIKeyOLRHZBDMYHEVOK-HNNXBMFYSA-N
XLogP3.67
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-amino-4-propan-2-yl-4H-benzo[h]chromene-3-carbonitrile
CID 124891273
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(1S)-3-amino-1-(4-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 818621
(1R)-3-amino-1-(2-chlorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 675919
3-amino-1-(1,3-benzodioxol-5-yl)-1H-benzo[f]chromene-2-carbonitrile
CID 4632257
(1S)-3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 689413
3-amino-1-(3-fluorophenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 613563
(1S)-3-amino-1-(2-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 968492
(1S)-3-amino-1-(4-methylsulfanylphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 968484
(1R)-3-amino-1-(nitromethyl)-1H-benzo[f]chromene-2-carbonitrile
CID 102599470
(1S)-3-amino-1-thiophen-2-yl-1H-benzo[f]chromene-2-carbonitrile
CID 968497
3-amino-1-pyridin-3-yl-1H-benzo[f]chromene-2-carbonitrile
CID 2839492

Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile?
The IUPAC name of (1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile (CID 124672186) is (1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile.
What is the SMILES notation for (1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile?
The canonical SMILES for (1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile is CC(C)[C@H]1C(C#N)=C(N)Oc2ccc3ccccc3c21.
What is the InChIKey of (1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile?
The InChIKey is OLRHZBDMYHEVOK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-10(2)15-13(9-18)17(19)20-14-8-7-11-5-3-4-6-12(11)16(14)15/h3-8,10,15H,19H2,1-2H3/t15-/m0/s1.
What are the key properties of (1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile?
(1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-1-propan-2-yl-1H-benzo[f]chromene-2-carbonitrile is sourced from PubChem (CID 124672186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).