(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone

C16H25N3O — CID 3234238

IUPAC(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCN1CCCC2(CCN(C(=O)c3cccn3C)CC2)C1
InChIInChI=1S/C16H25N3O/c1-17-9-4-6-16(13-17)7-11-19(12-8-16)15(20)14-5-3-10-18(14)2/h3,5,10H,4,6-9,11-13H2,1-2H3
InChIKeyAIPWYRSSDJJKLG-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.97
Rot. Bonds1

About (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone

(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 3234238) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone
PubChem CID3234238
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCN1CCCC2(CCN(C(=O)c3cccn3C)CC2)C1
InChIInChI=1S/C16H25N3O/c1-17-9-4-6-16(13-17)7-11-19(12-8-16)15(20)14-5-3-10-18(14)2/h3,5,10H,4,6-9,11-13H2,1-2H3
InChIKeyAIPWYRSSDJJKLG-UHFFFAOYSA-N
XLogP1.97
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone (CID 3234238) is (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone is CN1CCCC2(CCN(C(=O)c3cccn3C)CC2)C1.
What is the InChIKey of (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is AIPWYRSSDJJKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-9-4-6-16(13-17)7-11-19(12-8-16)15(20)14-5-3-10-18(14)2/h3,5,10H,4,6-9,11-13H2,1-2H3.
What are the key properties of (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone?
(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 3234238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).