(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one

C10H18N2O — CID 124710287

IUPAC(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESCC(C)N1[C@H]2CC[C@H]1CC(=O)NC2
InChIInChI=1S/C10H18N2O/c1-7(2)12-8-3-4-9(12)6-11-10(13)5-8/h7-9H,3-6H2,1-2H3,(H,11,13)/t8-,9-/m0/s1
InChIKeyUIFGCFYACKOUAZ-IUCAKERBSA-N
MW182.27 g/mol
LogP0.75
Rot. Bonds1

About (1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one

(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 124710287) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID124710287
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESCC(C)N1[C@H]2CC[C@H]1CC(=O)NC2
InChIInChI=1S/C10H18N2O/c1-7(2)12-8-3-4-9(12)6-11-10(13)5-8/h7-9H,3-6H2,1-2H3,(H,11,13)/t8-,9-/m0/s1
InChIKeyUIFGCFYACKOUAZ-IUCAKERBSA-N
XLogP0.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 55252779
9-[(2R)-2-aminopropanoyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 119335995
9-(3-aminobutanoyl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 119805382
3-propan-2-yl-6-oxa-3-azabicyclo[3.1.1]heptane;6-propan-2-yl-3-oxa-6-azabicyclo[3.1.1]heptane;10-propan-2-yl-8-oxa-3,10-diazabicyclo[4.3.1]decan-4-one
CID 158775151
(1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one
CID 51893373
(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51893383
(1S,6R)-9-(1,4-dithiepan-6-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 50949751
4-propan-2-ylpyrrolidin-2-one
CID 20976007
3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione
CID 106186467
(5S)-5-(2-methylpropyl)piperidin-2-one
CID 172505692
trans-(1R,2R)-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl]cyclobutane-1-carboxylic acid
CID 129466723
2-(4-oxo-3,9-diazabicyclo[4.2.1]nonan-9-yl)-N-(1-phenylethyl)acetamide
CID 6488066

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of (1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 124710287) is (1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for (1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for (1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one is CC(C)N1[C@H]2CC[C@H]1CC(=O)NC2.
What is the InChIKey of (1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is UIFGCFYACKOUAZ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)12-8-3-4-9(12)6-11-10(13)5-8/h7-9H,3-6H2,1-2H3,(H,11,13)/t8-,9-/m0/s1.
What are the key properties of (1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one?
(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 182.27 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 124710287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).