(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone

C13H23N3O — CID 104901253

IUPAC(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCN1C2CCC1CN(C(=O)[C@H]1CCCN1)CC2
InChIInChI=1S/C13H23N3O/c1-15-10-4-5-11(15)9-16(8-6-10)13(17)12-3-2-7-14-12/h10-12,14H,2-9H2,1H3/t10?,11?,12-/m1/s1
InChIKeyXQHNMPOAMSVEPA-HTAVTVPLSA-N
MW237.35 g/mol
LogP0.43
Rot. Bonds1

About (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone

(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 104901253) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID104901253
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone
SMILESCN1C2CCC1CN(C(=O)[C@H]1CCCN1)CC2
InChIInChI=1S/C13H23N3O/c1-15-10-4-5-11(15)9-16(8-6-10)13(17)12-3-2-7-14-12/h10-12,14H,2-9H2,1H3/t10?,11?,12-/m1/s1
InChIKeyXQHNMPOAMSVEPA-HTAVTVPLSA-N
XLogP0.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone with MolForge

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Related Compounds

(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79384116
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119336352
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
1-(pyrrolidine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 10081902
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(pyrrolidin-2-yl)methanone;dihydrochloride
CID 119868355
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
[(1S)-2,2-dichlorocyclopropyl]-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 129422315
[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 129494191
[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129320770

Frequently Asked Questions

What is the IUPAC name of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone (CID 104901253) is (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone is CN1C2CCC1CN(C(=O)[C@H]1CCCN1)CC2.
What is the InChIKey of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is XQHNMPOAMSVEPA-HTAVTVPLSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15-10-4-5-11(15)9-16(8-6-10)13(17)12-3-2-7-14-12/h10-12,14H,2-9H2,1H3/t10?,11?,12-/m1/s1.
What are the key properties of (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone?
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 237.35 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 104901253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).