N-oxido-3-propylaniline

C9H12NO- — CID 142022424

IUPACN-oxido-3-propylaniline
SMILESCCCc1cccc(N[O-])c1
InChIInChI=1S/C9H12NO/c1-2-4-8-5-3-6-9(7-8)10-11/h3,5-7,10H,2,4H2,1H3/q-1
InChIKeyQQQCRDMOOXSZOD-UHFFFAOYSA-N
MW150.20 g/mol
LogP2.55
Rot. Bonds3

About N-oxido-3-propylaniline

N-oxido-3-propylaniline (PubChem CID 142022424) has the molecular formula C9H12NO- and a molecular weight of 150.20 g/mol. Its IUPAC name is N-oxido-3-propylaniline.

Molecular Properties

Compound NameN-oxido-3-propylaniline
PubChem CID142022424
Molecular FormulaC9H12NO-
Molecular Weight150.20 g/mol
Exact Mass150.09
IUPAC NameN-oxido-3-propylaniline
SMILESCCCc1cccc(N[O-])c1
InChIInChI=1S/C9H12NO/c1-2-4-8-5-3-6-9(7-8)10-11/h3,5-7,10H,2,4H2,1H3/q-1
InChIKeyQQQCRDMOOXSZOD-UHFFFAOYSA-N
XLogP2.55
TPSA35.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethynyl-3-propylaniline
CID 141476226
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
(3-pentylphenyl)hydrazine
CID 70445583
N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545552
N-ethyl-3-(2-methoxyethyl)aniline
CID 151111867
1-phenyl-3-propylbenzene
CID 4110465
copper bis(7-oxo-5-propylcyclohepta-1,3,5-trien-1-olate)
CID 122552448
1-(3-bromopropyl)-3-propylbenzene
CID 116545899
1-methoxy-3-propylbenzene
CID 14270128
ethane;3-propylaniline;vanadium
CID 143596420
ethane;2-nitro-N-(3-propylphenyl)benzamide
CID 90843010

Frequently Asked Questions

What is the IUPAC name of N-oxido-3-propylaniline?
The IUPAC name of N-oxido-3-propylaniline (CID 142022424) is N-oxido-3-propylaniline.
What is the SMILES notation for N-oxido-3-propylaniline?
The canonical SMILES for N-oxido-3-propylaniline is CCCc1cccc(N[O-])c1.
What is the InChIKey of N-oxido-3-propylaniline?
The InChIKey is QQQCRDMOOXSZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO/c1-2-4-8-5-3-6-9(7-8)10-11/h3,5-7,10H,2,4H2,1H3/q-1.
What are the key properties of N-oxido-3-propylaniline?
N-oxido-3-propylaniline has a molecular weight of 150.20 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-3-propylaniline is sourced from PubChem (CID 142022424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).