(2R)-2-amino-2-(4-nitrophenyl)acetonitrile

C8H7N3O2 — CID 130739623

IUPAC(2R)-2-amino-2-(4-nitrophenyl)acetonitrile
SMILESN#C[C@H](N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7N3O2/c9-5-8(10)6-1-3-7(4-2-6)11(12)13/h1-4,8H,10H2/t8-/m0/s1
InChIKeyURKFTLSOKIKWTG-QMMMGPOBSA-N
MW177.16 g/mol
LogP1.12
Rot. Bonds2

About (2R)-2-amino-2-(4-nitrophenyl)acetonitrile

(2R)-2-amino-2-(4-nitrophenyl)acetonitrile (PubChem CID 130739623) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-nitrophenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-nitrophenyl)acetonitrile
PubChem CID130739623
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name(2R)-2-amino-2-(4-nitrophenyl)acetonitrile
SMILESN#C[C@H](N)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H7N3O2/c9-5-8(10)6-1-3-7(4-2-6)11(12)13/h1-4,8H,10H2/t8-/m0/s1
InChIKeyURKFTLSOKIKWTG-QMMMGPOBSA-N
XLogP1.12
TPSA92.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-nitrophenyl)prop-2-yn-1-amine
CID 97036638
2-amino-2-(4-bromo-3-nitrophenyl)acetonitrile
CID 130060051
(2S,4S)-2,4-dinitro-3-(4-nitrophenyl)pentanedinitrile
CID 125115060
2,3-dichloro-3-(4-nitrophenyl)propanenitrile
CID 139607153
2-(4-nitrophenyl)-3-oxopropanenitrile
CID 54504719
(4-nitrophenyl)-phenylmethanamine
CID 19975165
(2R)-2-amino-2-(4-aminophenyl)acetonitrile
CID 126961304
bis(4-nitrophenyl)methanol
CID 12768612
1-(difluoromethyl)-4-nitrobenzene
CID 640443
(1R)-2-methyl-1-(4-nitrophenyl)butan-1-amine;hydrochloride
CID 171198272
1-amino-1-(4-nitrophenyl)propan-2-ol
CID 55268505
2-morpholin-4-yl-2-(4-nitrophenyl)acetonitrile
CID 84747445

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-nitrophenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(4-nitrophenyl)acetonitrile (CID 130739623) is (2R)-2-amino-2-(4-nitrophenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(4-nitrophenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(4-nitrophenyl)acetonitrile is N#C[C@H](N)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-2-amino-2-(4-nitrophenyl)acetonitrile?
The InChIKey is URKFTLSOKIKWTG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-5-8(10)6-1-3-7(4-2-6)11(12)13/h1-4,8H,10H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-nitrophenyl)acetonitrile?
(2R)-2-amino-2-(4-nitrophenyl)acetonitrile has a molecular weight of 177.16 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-nitrophenyl)acetonitrile is sourced from PubChem (CID 130739623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).