(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione

C12H18N2O2 — CID 97436024

IUPAC(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
SMILESO=C1[C@@H]2CCCCN2C(=O)[C@H]2CCCCN12
InChIInChI=1S/C12H18N2O2/c15-11-9-5-1-3-7-13(9)12(16)10-6-2-4-8-14(10)11/h9-10H,1-8H2/t9-,10+
InChIKeyDVUOUKHMQDFLFQ-AOOOYVTPSA-N
MW222.29 g/mol
LogP0.76
Rot. Bonds

About (3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione

(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione (PubChem CID 97436024) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione.

Molecular Properties

Compound Name(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
PubChem CID97436024
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
SMILESO=C1[C@@H]2CCCCN2C(=O)[C@H]2CCCCN12
InChIInChI=1S/C12H18N2O2/c15-11-9-5-1-3-7-13(9)12(16)10-6-2-4-8-14(10)11/h9-10H,1-8H2/t9-,10+
InChIKeyDVUOUKHMQDFLFQ-AOOOYVTPSA-N
XLogP0.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79929941
2-cyclopropyl-3-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932884
2-cyclopropyl-3-propan-2-yl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932805
2-cyclohexyl-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 79931975
2-ethyl-6,7,8,8a-tetrahydro-5H-indolizine-1,3-dione
CID 139702649
3-methyl-2-(2-methylcycloheptyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79916463
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CID 79932570
2-(3-methylcyclobutyl)-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 113467515
2-tert-butyl-3-ethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932366
2-(cyclopentylmethyl)-3-ethyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79932299
(3R,9R)-11-(cyclohexylmethyl)-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 126460909
acetic acid;(3S,5R,9S)-5-(dimethylamino)-1,7-diazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 154913437

Frequently Asked Questions

What is the IUPAC name of (3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione?
The IUPAC name of (3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione (CID 97436024) is (3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione.
What is the SMILES notation for (3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione?
The canonical SMILES for (3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione is O=C1[C@@H]2CCCCN2C(=O)[C@H]2CCCCN12.
What is the InChIKey of (3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione?
The InChIKey is DVUOUKHMQDFLFQ-AOOOYVTPSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-11-9-5-1-3-7-13(9)12(16)10-6-2-4-8-14(10)11/h9-10H,1-8H2/t9-,10+.
What are the key properties of (3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione?
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione has a molecular weight of 222.29 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione is sourced from PubChem (CID 97436024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).