nitric acid;1,2,3,4-tetrahydronaphthalene

C10H13NO3 — CID 21399469

IUPACnitric acid;1,2,3,4-tetrahydronaphthalene
SMILESO=[N+]([O-])O.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.HNO3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h1-2,5-6H,3-4,7-8H2;(H,2,3,4)
InChIKeyMHTUMHRYKOGSFP-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.22
Rot. Bonds

About nitric acid;1,2,3,4-tetrahydronaphthalene

nitric acid;1,2,3,4-tetrahydronaphthalene (PubChem CID 21399469) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is nitric acid;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namenitric acid;1,2,3,4-tetrahydronaphthalene
PubChem CID21399469
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namenitric acid;1,2,3,4-tetrahydronaphthalene
SMILESO=[N+]([O-])O.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.HNO3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h1-2,5-6H,3-4,7-8H2;(H,2,3,4)
InChIKeyMHTUMHRYKOGSFP-UHFFFAOYSA-N
XLogP2.22
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.22
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of nitric acid;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of nitric acid;1,2,3,4-tetrahydronaphthalene (CID 21399469) is nitric acid;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for nitric acid;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for nitric acid;1,2,3,4-tetrahydronaphthalene is O=[N+]([O-])O.c1ccc2c(c1)CCCC2.
What is the InChIKey of nitric acid;1,2,3,4-tetrahydronaphthalene?
The InChIKey is MHTUMHRYKOGSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.HNO3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h1-2,5-6H,3-4,7-8H2;(H,2,3,4).
What are the key properties of nitric acid;1,2,3,4-tetrahydronaphthalene?
nitric acid;1,2,3,4-tetrahydronaphthalene has a molecular weight of 195.22 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 21399469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).