N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline

C11H14N2O — CID 91934001

IUPACN,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline
SMILESCN(C)c1ccc(/C=C/CN=O)cc1
InChIInChI=1S/C11H14N2O/c1-13(2)11-7-5-10(6-8-11)4-3-9-12-14/h3-8H,9H2,1-2H3/b4-3+
InChIKeyQCRAXSUGRBNOBQ-ONEGZZNKSA-N
MW190.25 g/mol
LogP2.53
Rot. Bonds4

About N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline

N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline (PubChem CID 91934001) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline
PubChem CID91934001
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline
SMILESCN(C)c1ccc(/C=C/CN=O)cc1
InChIInChI=1S/C11H14N2O/c1-13(2)11-7-5-10(6-8-11)4-3-9-12-14/h3-8H,9H2,1-2H3/b4-3+
InChIKeyQCRAXSUGRBNOBQ-ONEGZZNKSA-N
XLogP2.53
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
CID 173417054
CID 173417054
4-[(E)-2-(4-iodophenyl)ethenyl]-N,N-dimethylaniline
CID 10936986
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
4-[(E)-hept-1-enyl]-N,N-dimethylaniline
CID 101050911
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
tris(dimethylamino)-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phosphanium
CID 10794043
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline (CID 91934001) is N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline is CN(C)c1ccc(/C=C/CN=O)cc1.
What is the InChIKey of N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline?
The InChIKey is QCRAXSUGRBNOBQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H14N2O/c1-13(2)11-7-5-10(6-8-11)4-3-9-12-14/h3-8H,9H2,1-2H3/b4-3+.
What are the key properties of N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline?
N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline has a molecular weight of 190.25 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-3-nitrosoprop-1-enyl]aniline is sourced from PubChem (CID 91934001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).