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

C12H20N2O — CID 98111580

IUPAC(1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one
SMILESO=C1C[C@H]2CCC[C@H](CN1)N2CC1CC1
InChIInChI=1S/C12H20N2O/c15-12-6-10-2-1-3-11(7-13-12)14(10)8-9-4-5-9/h9-11H,1-8H2,(H,13,15)/t10-,11-/m1/s1
InChIKeyUTQOWWMBSNDSOX-GHMZBOCLSA-N
MW208.30 g/mol
LogP1.14
Rot. Bonds2

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

(1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one (PubChem CID 98111580) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one.

Molecular Properties

Compound Name(1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one
PubChem CID98111580
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one
SMILESO=C1C[C@H]2CCC[C@H](CN1)N2CC1CC1
InChIInChI=1S/C12H20N2O/c15-12-6-10-2-1-3-11(7-13-12)14(10)8-9-4-5-9/h9-11H,1-8H2,(H,13,15)/t10-,11-/m1/s1
InChIKeyUTQOWWMBSNDSOX-GHMZBOCLSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(cyclohexylmethyl)-3,9-diazabicyclo[3.3.1]nonan-2-one
CID 167937397
(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
(1R,6S)-9-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 133110482
2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one
CID 141276445
(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 55252779
N-[(4-methoxyphenyl)methyl]-2-[(1R,6S)-4-oxo-3,10-diazabicyclo[4.3.1]decan-10-yl]acetamide
CID 11904696
4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one
CID 126892702
9-[(2-amino-1,3-thiazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
CID 120901077
(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 124710287
9-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 127409897
3-(5-oxopyrrolidin-3-yl)imidazolidine-2,4-dione
CID 106186467

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one?
The IUPAC name of (1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one (CID 98111580) is (1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one.
What is the SMILES notation for (1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one?
The canonical SMILES for (1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one is O=C1C[C@H]2CCC[C@H](CN1)N2CC1CC1.
What is the InChIKey of (1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one?
The InChIKey is UTQOWWMBSNDSOX-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12-6-10-2-1-3-11(7-13-12)14(10)8-9-4-5-9/h9-11H,1-8H2,(H,13,15)/t10-,11-/m1/s1.
What are the key properties of (1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one?
(1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one has a molecular weight of 208.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one is sourced from PubChem (CID 98111580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).