2-(cyclopropylamino)-4-nitrobenzonitrile

C10H9N3O2 — CID 171316320

IUPAC2-(cyclopropylamino)-4-nitrobenzonitrile
SMILESN#Cc1ccc([N+](=O)[O-])cc1NC1CC1
InChIInChI=1S/C10H9N3O2/c11-6-7-1-4-9(13(14)15)5-10(7)12-8-2-3-8/h1,4-5,8,12H,2-3H2
InChIKeyFQAMNAOQKATFRX-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.04
Rot. Bonds3

About 2-(cyclopropylamino)-4-nitrobenzonitrile

2-(cyclopropylamino)-4-nitrobenzonitrile (PubChem CID 171316320) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-nitrobenzonitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-nitrobenzonitrile
PubChem CID171316320
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-(cyclopropylamino)-4-nitrobenzonitrile
SMILESN#Cc1ccc([N+](=O)[O-])cc1NC1CC1
InChIInChI=1S/C10H9N3O2/c11-6-7-1-4-9(13(14)15)5-10(7)12-8-2-3-8/h1,4-5,8,12H,2-3H2
InChIKeyFQAMNAOQKATFRX-UHFFFAOYSA-N
XLogP2.04
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.04
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

1-N-cyclopropyl-4-nitrobenzene-1,2-diamine
CID 46941382
4-(2-cyano-4-nitroanilino)cyclohexane-1-carboxamide
CID 60725680
2-[(3-aminocyclopentyl)amino]-5-nitrobenzonitrile
CID 79462010
4-(2-chloro-5-nitroanilino)cyclohexan-1-ol
CID 106593945
2-[(1-acetylpiperidin-4-yl)amino]-5-nitrobenzonitrile
CID 39967639
4-(2-cyano-4-nitroanilino)piperidine-1-carboxamide
CID 43790302
4-(cyclopropylamino)-3-nitrobenzonitrile
CID 5215354
methyl 2-(cyclopropylamino)-4-nitrobenzoate
CID 142792766
2-cyclohexyloxy-5-nitrobenzonitrile
CID 22227856
N-(4-tert-butylcyclohexyl)-2-fluoro-5-nitroaniline
CID 43719057
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-5-nitrobenzonitrile
CID 47807763
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-nitrobenzonitrile?
The IUPAC name of 2-(cyclopropylamino)-4-nitrobenzonitrile (CID 171316320) is 2-(cyclopropylamino)-4-nitrobenzonitrile.
What is the SMILES notation for 2-(cyclopropylamino)-4-nitrobenzonitrile?
The canonical SMILES for 2-(cyclopropylamino)-4-nitrobenzonitrile is N#Cc1ccc([N+](=O)[O-])cc1NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-nitrobenzonitrile?
The InChIKey is FQAMNAOQKATFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-6-7-1-4-9(13(14)15)5-10(7)12-8-2-3-8/h1,4-5,8,12H,2-3H2.
What are the key properties of 2-(cyclopropylamino)-4-nitrobenzonitrile?
2-(cyclopropylamino)-4-nitrobenzonitrile has a molecular weight of 203.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-nitrobenzonitrile is sourced from PubChem (CID 171316320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).