1-nitro-2-propylnaphthalene

C13H13NO2 — CID 19077753

IUPAC1-nitro-2-propylnaphthalene
SMILESCCCc1ccc2ccccc2c1[N+](=O)[O-]
InChIInChI=1S/C13H13NO2/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14(15)16/h3-4,6-9H,2,5H2,1H3
InChIKeyQJPXTTWXHNDFJB-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.70
Rot. Bonds3

About 1-nitro-2-propylnaphthalene

1-nitro-2-propylnaphthalene (PubChem CID 19077753) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-nitro-2-propylnaphthalene.

Molecular Properties

Compound Name1-nitro-2-propylnaphthalene
PubChem CID19077753
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-nitro-2-propylnaphthalene
SMILESCCCc1ccc2ccccc2c1[N+](=O)[O-]
InChIInChI=1S/C13H13NO2/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14(15)16/h3-4,6-9H,2,5H2,1H3
InChIKeyQJPXTTWXHNDFJB-UHFFFAOYSA-N
XLogP3.70
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-(2-bromoethyl)-1-nitronaphthalene
CID 18370855
2-(1-nitronaphthalen-2-yl)ethanol
CID 121008268
(1-nitronaphthalen-2-yl)methyl-triphenylphosphanium
CID 71338092
methyl 2-hydroxyimino-4-(1-nitronaphthalen-2-yl)butanoate
CID 73432749
2-propyl-1-(2-propylnaphthalen-1-yl)naphthalene
CID 59336410
4-(1-nitronaphthalen-2-yl)-2-nitrosobutanoic acid
CID 57292960
N,N-dimethyl-1-nitronaphthalen-2-amine
CID 154584370
2-methylsulfanyl-1-nitronaphthalene
CID 13221798
1-(1-nitronaphthalen-2-yl)ethanone
CID 167328369
1-methoxy-2-propylnaphthalene
CID 19091368
acetic acid;1-nitronaphthalen-2-amine
CID 22097140
1-phenyl-2-propylnaphthalene
CID 102463751

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-propylnaphthalene?
The IUPAC name of 1-nitro-2-propylnaphthalene (CID 19077753) is 1-nitro-2-propylnaphthalene.
What is the SMILES notation for 1-nitro-2-propylnaphthalene?
The canonical SMILES for 1-nitro-2-propylnaphthalene is CCCc1ccc2ccccc2c1[N+](=O)[O-].
What is the InChIKey of 1-nitro-2-propylnaphthalene?
The InChIKey is QJPXTTWXHNDFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14(15)16/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 1-nitro-2-propylnaphthalene?
1-nitro-2-propylnaphthalene has a molecular weight of 215.25 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-propylnaphthalene is sourced from PubChem (CID 19077753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).