N,N-dipropylnitrous amide;4-nitrophenol

C12H19N3O4 — CID 138628252

IUPACN,N-dipropylnitrous amide;4-nitrophenol
SMILESCCCN(CCC)N=O.O=[N+]([O-])c1ccc(O)cc1
InChIInChI=1S/C6H14N2O.C6H5NO3/c1-3-5-8(7-9)6-4-2;8-6-3-1-5(2-4-6)7(9)10/h3-6H2,1-2H3;1-4,8H
InChIKeyVGWLCDKNPVPIIB-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.09
Rot. Bonds6

About N,N-dipropylnitrous amide;4-nitrophenol

N,N-dipropylnitrous amide;4-nitrophenol (PubChem CID 138628252) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N,N-dipropylnitrous amide;4-nitrophenol.

Molecular Properties

Compound NameN,N-dipropylnitrous amide;4-nitrophenol
PubChem CID138628252
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN,N-dipropylnitrous amide;4-nitrophenol
SMILESCCCN(CCC)N=O.O=[N+]([O-])c1ccc(O)cc1
InChIInChI=1S/C6H14N2O.C6H5NO3/c1-3-5-8(7-9)6-4-2;8-6-3-1-5(2-4-6)7(9)10/h3-6H2,1-2H3;1-4,8H
InChIKeyVGWLCDKNPVPIIB-UHFFFAOYSA-N
XLogP3.09
TPSA96.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-nitrophenol
CID 88714583
4-nitrophenol;phosphane
CID 157153413
4-nitrophenol;propan-2-one
CID 18924338
calcium;hydride;4-nitrophenol
CID 173414286
1-chloropentane;4-nitrophenol
CID 175271620
hexane;4-nitrophenol;pyrene
CID 175425201
4-methylphenol;4-nitrophenol
CID 68529378
4-nitrophenol;tris(dimethylamino)sulfanium
CID 159014687
4-nitrophenol;1-nonoxynonane
CID 69294501
1,4-dinitrobenzene;nitrous acid
CID 174371180
N-ethyl-4-nitro-N-propylbenzamide
CID 91720925
octakis(4-nitrophenol);tetrakis(1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane);tetrahydrate
CID 139075544

Frequently Asked Questions

What is the IUPAC name of N,N-dipropylnitrous amide;4-nitrophenol?
The IUPAC name of N,N-dipropylnitrous amide;4-nitrophenol (CID 138628252) is N,N-dipropylnitrous amide;4-nitrophenol.
What is the SMILES notation for N,N-dipropylnitrous amide;4-nitrophenol?
The canonical SMILES for N,N-dipropylnitrous amide;4-nitrophenol is CCCN(CCC)N=O.O=[N+]([O-])c1ccc(O)cc1.
What is the InChIKey of N,N-dipropylnitrous amide;4-nitrophenol?
The InChIKey is VGWLCDKNPVPIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C6H5NO3/c1-3-5-8(7-9)6-4-2;8-6-3-1-5(2-4-6)7(9)10/h3-6H2,1-2H3;1-4,8H.
What are the key properties of N,N-dipropylnitrous amide;4-nitrophenol?
N,N-dipropylnitrous amide;4-nitrophenol has a molecular weight of 269.30 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropylnitrous amide;4-nitrophenol is sourced from PubChem (CID 138628252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).