(1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one

C11H18N2O — CID 51893373

IUPAC(1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one
SMILESO=C1C[C@H]2CCC[C@@H](CN1)N2C1CC1
InChIInChI=1S/C11H18N2O/c14-11-6-9-2-1-3-10(7-12-11)13(9)8-4-5-8/h8-10H,1-7H2,(H,12,14)/t9-,10+/m1/s1
InChIKeyOOUMONMIPLTJNW-ZJUUUORDSA-N
MW194.28 g/mol
LogP0.89
Rot. Bonds1

About (1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one

(1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one (PubChem CID 51893373) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one.

Molecular Properties

Compound Name(1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one
PubChem CID51893373
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one
SMILESO=C1C[C@H]2CCC[C@@H](CN1)N2C1CC1
InChIInChI=1S/C11H18N2O/c14-11-6-9-2-1-3-10(7-12-11)13(9)8-4-5-8/h8-10H,1-7H2,(H,12,14)/t9-,10+/m1/s1
InChIKeyOOUMONMIPLTJNW-ZJUUUORDSA-N
XLogP0.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,6R)-9-(1,4-dithiepan-6-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 50949751
(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 55252779
(1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one
CID 98111580
9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-one
CID 62713753
(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one
CID 144657404
(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 124710287
8-cyclobutyl-8-azabicyclo[3.2.1]octane
CID 23151234
4-(2,6-dimethylpiperazin-1-yl)azepan-2-one
CID 63910430
(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51893383
9-cyclobutyl-9-azabicyclo[3.3.1]nonane
CID 23151237
3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione
CID 106186467
9-(pyrrolidine-2-carbonyl)-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
CID 119335990

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one?
The IUPAC name of (1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one (CID 51893373) is (1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one.
What is the SMILES notation for (1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one?
The canonical SMILES for (1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one is O=C1C[C@H]2CCC[C@@H](CN1)N2C1CC1.
What is the InChIKey of (1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one?
The InChIKey is OOUMONMIPLTJNW-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11-6-9-2-1-3-10(7-12-11)13(9)8-4-5-8/h8-10H,1-7H2,(H,12,14)/t9-,10+/m1/s1.
What are the key properties of (1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one?
(1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one has a molecular weight of 194.28 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-10-cyclopropyl-3,10-diazabicyclo[4.3.1]decan-4-one is sourced from PubChem (CID 51893373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).