7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one

C13H21N3O2 — CID 119334303

IUPAC7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCN(C(=O)C3CCCN3)C2)CN1
InChIInChI=1S/C13H21N3O2/c17-11-7-13(8-15-11)4-2-6-16(9-13)12(18)10-3-1-5-14-10/h10,14H,1-9H2,(H,15,17)
InChIKeyBDCYRCYLSLNHET-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.13
Rot. Bonds1

About 7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one

7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one (PubChem CID 119334303) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one
PubChem CID119334303
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCN(C(=O)C3CCCN3)C2)CN1
InChIInChI=1S/C13H21N3O2/c17-11-7-13(8-15-11)4-2-6-16(9-13)12(18)10-3-1-5-14-10/h10,14H,1-9H2,(H,15,17)
InChIKeyBDCYRCYLSLNHET-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,7-diazaspiro[4.5]decan-3-one;hydrochloride
CID 120991283
N-methyl-3-oxo-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 127368537
2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119805330
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(4,4-dimethylazepan-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103797741
(3,3-diphenylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 154900279
(3,3-difluoropyrrolidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 135306349
(3-hydroxy-3-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 103356057
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
(5R)-7-[5-[(3R)-dithiolan-3-yl]pentanoyl]-2,7-diazaspiro[4.5]decan-3-one
CID 99812163
(5S)-2-(1-hydroxycyclopentanecarbonyl)-2,7-diazaspiro[4.4]nonan-8-one
CID 129349494
8-oxa-2-azaspiro[4.5]decan-2-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119816893

Frequently Asked Questions

What is the IUPAC name of 7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one?
The IUPAC name of 7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one (CID 119334303) is 7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one is O=C1CC2(CCCN(C(=O)C3CCCN3)C2)CN1.
What is the InChIKey of 7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one?
The InChIKey is BDCYRCYLSLNHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-11-7-13(8-15-11)4-2-6-16(9-13)12(18)10-3-1-5-14-10/h10,14H,1-9H2,(H,15,17).
What are the key properties of 7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one?
7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one has a molecular weight of 251.33 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(pyrrolidine-2-carbonyl)-2,7-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 119334303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).