4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol

C12H21NO3 — CID 115923383

IUPAC4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol
SMILESCC1(C)C(NC2COCC2O)C2CCOC21
InChIInChI=1S/C12H21NO3/c1-12(2)10(7-3-4-16-11(7)12)13-8-5-15-6-9(8)14/h7-11,13-14H,3-6H2,1-2H3
InChIKeyWRCFQUATUBXDJP-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.15
Rot. Bonds2

About 4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol

4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol (PubChem CID 115923383) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol.

Molecular Properties

Compound Name4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol
PubChem CID115923383
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol
SMILESCC1(C)C(NC2COCC2O)C2CCOC21
InChIInChI=1S/C12H21NO3/c1-12(2)10(7-3-4-16-11(7)12)13-8-5-15-6-9(8)14/h7-11,13-14H,3-6H2,1-2H3
InChIKeyWRCFQUATUBXDJP-UHFFFAOYSA-N
XLogP0.15
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)hydroxylamine
CID 82685302
N-cyclopent-3-en-1-yl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 115906207
N-cyclopentyl-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872035
(1S,5R,6R)-N,7,7-trimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 95241136
N-(2-methoxycyclopentyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64863341
[(1R,4S)-4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]cyclopent-2-en-1-yl]methanol
CID 86787442
(1S,5S)-N-(2-bromoprop-2-enyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 130646138
N-(2-adamantyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864668
(1R,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-ol
CID 99952296
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
4-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]oxan-4-ol
CID 81130937
7,7-dimethyl-N-[(1-methylcyclopentyl)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64865667

Frequently Asked Questions

What is the IUPAC name of 4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol?
The IUPAC name of 4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol (CID 115923383) is 4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol.
What is the SMILES notation for 4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol?
The canonical SMILES for 4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol is CC1(C)C(NC2COCC2O)C2CCOC21.
What is the InChIKey of 4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol?
The InChIKey is WRCFQUATUBXDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-12(2)10(7-3-4-16-11(7)12)13-8-5-15-6-9(8)14/h7-11,13-14H,3-6H2,1-2H3.
What are the key properties of 4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol?
4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol has a molecular weight of 227.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]oxolan-3-ol is sourced from PubChem (CID 115923383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).