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

C11H21NO2 — CID 174429341

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid
SMILESC1CCC2CCCCC2C1.NC(=O)O
InChIInChI=1S/C10H18.CH3NO2/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h9-10H,1-8H2;2H2,(H,3,4)
InChIKeyAFYLPNGAUZJQEN-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.99
Rot. Bonds

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

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid (PubChem CID 174429341) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid
PubChem CID174429341
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid
SMILESC1CCC2CCCCC2C1.NC(=O)O
InChIInChI=1S/C10H18.CH3NO2/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h9-10H,1-8H2;2H2,(H,3,4)
InChIKeyAFYLPNGAUZJQEN-UHFFFAOYSA-N
XLogP2.99
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid (CID 174429341) is 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid is C1CCC2CCCCC2C1.NC(=O)O.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid?
The InChIKey is AFYLPNGAUZJQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.CH3NO2/c1-2-6-10-8-4-3-7-9(10)5-1;2-1(3)4/h9-10H,1-8H2;2H2,(H,3,4).
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid?
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid has a molecular weight of 199.29 g/mol, XLogP of 2.99, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;carbamic acid is sourced from PubChem (CID 174429341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).