(3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid

C9H13NO3 — CID 156534278

IUPAC(3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid
SMILESO=C1CC2CCC(C1)C2NC(=O)O
InChIInChI=1S/C9H13NO3/c11-7-3-5-1-2-6(4-7)8(5)10-9(12)13/h5-6,8,10H,1-4H2,(H,12,13)
InChIKeyZYSWRLCBZCDULH-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.01
Rot. Bonds1

About (3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid

(3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid (PubChem CID 156534278) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid.

Molecular Properties

Compound Name(3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid
PubChem CID156534278
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid
SMILESO=C1CC2CCC(C1)C2NC(=O)O
InChIInChI=1S/C9H13NO3/c11-7-3-5-1-2-6(4-7)8(5)10-9(12)13/h5-6,8,10H,1-4H2,(H,12,13)
InChIKeyZYSWRLCBZCDULH-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(3-oxocyclohexyl)carbamic acid
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2-azabicyclo[2.2.1]heptan-7-ylcarbamic acid
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bromo 3-oxobicyclo[3.2.1]octane-8-carboxylate
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(3aR)-1,3,3a,4,5,6,7,7a-octahydroinden-2-one
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tricyclo[5.2.1.02,6]decan-4-one
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(1S,2R,6S,7R)-tricyclo[5.2.1.02,6]decan-4-one
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methyl (3aR,6aS)-2-methyl-5-oxo-1,3,3a,4,6,6a-hexahydropentalene-2-carboxylate
CID 11644083
(6-oxopiperidin-3-yl)carbamic acid
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[(4S,5R)-5-amino-2-oxopiperidin-4-yl]carbamic acid
CID 90426122
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CID 68613704

Frequently Asked Questions

What is the IUPAC name of (3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid?
The IUPAC name of (3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid (CID 156534278) is (3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid.
What is the SMILES notation for (3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid?
The canonical SMILES for (3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid is O=C1CC2CCC(C1)C2NC(=O)O.
What is the InChIKey of (3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid?
The InChIKey is ZYSWRLCBZCDULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-7-3-5-1-2-6(4-7)8(5)10-9(12)13/h5-6,8,10H,1-4H2,(H,12,13).
What are the key properties of (3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid?
(3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid has a molecular weight of 183.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-8-bicyclo[3.2.1]octanyl)carbamic acid is sourced from PubChem (CID 156534278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).