(1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one

C12H17NO2 — CID 146161812

IUPAC(1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one
SMILESC=C1CN2C(=O)CC[C@@]23CCC(O)[C@@H]1C3
InChIInChI=1S/C12H17NO2/c1-8-7-13-11(15)3-5-12(13)4-2-10(14)9(8)6-12/h9-10,14H,1-7H2/t9-,10?,12-/m1/s1
InChIKeyXJNDYIRJWCIABN-UPCOPKIUSA-N
MW207.27 g/mol
LogP1.08
Rot. Bonds

About (1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one

(1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one (PubChem CID 146161812) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one.

Molecular Properties

Compound Name(1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one
PubChem CID146161812
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one
SMILESC=C1CN2C(=O)CC[C@@]23CCC(O)[C@@H]1C3
InChIInChI=1S/C12H17NO2/c1-8-7-13-11(15)3-5-12(13)4-2-10(14)9(8)6-12/h9-10,14H,1-7H2/t9-,10?,12-/m1/s1
InChIKeyXJNDYIRJWCIABN-UPCOPKIUSA-N
XLogP1.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 134834700
CID 134834700
CID 134857788
CID 134857788
CID 146162040
CID 146162040
CID 11171787
CID 11171787
CID 11672849
CID 11672849
CID 73049816
CID 73049816
CID 102286951
CID 102286951

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one?
The IUPAC name of (1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one (CID 146161812) is (1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one.
What is the SMILES notation for (1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one?
The canonical SMILES for (1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one is C=C1CN2C(=O)CC[C@@]23CCC(O)[C@@H]1C3.
What is the InChIKey of (1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one?
The InChIKey is XJNDYIRJWCIABN-UPCOPKIUSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-7-13-11(15)3-5-12(13)4-2-10(14)9(8)6-12/h9-10,14H,1-7H2/t9-,10?,12-/m1/s1.
What are the key properties of (1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one?
(1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one has a molecular weight of 207.27 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one is sourced from PubChem (CID 146161812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).