1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid

C10H19NO3 — CID 20519095

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid
SMILESC1CCC2CCCCC2C1.O=[N+]([O-])O
InChIInChI=1S/C10H18.HNO3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h9-10H,1-8H2;(H,2,3,4)
InChIKeyKFLISSYULJIIJI-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.02
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid (PubChem CID 20519095) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid
PubChem CID20519095
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid
SMILESC1CCC2CCCCC2C1.O=[N+]([O-])O
InChIInChI=1S/C10H18.HNO3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h9-10H,1-8H2;(H,2,3,4)
InChIKeyKFLISSYULJIIJI-UHFFFAOYSA-N
XLogP3.02
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.02
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 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid (CID 20519095) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid is C1CCC2CCCCC2C1.O=[N+]([O-])O.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid?
The InChIKey is KFLISSYULJIIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.HNO3/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h9-10H,1-8H2;(H,2,3,4).
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid has a molecular weight of 201.27 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;nitric acid is sourced from PubChem (CID 20519095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).