7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H27N3O2 — CID 72916006

IUPAC7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cccc1C(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H27N3O2/c1-20-10-3-7-16(20)17(23)22-12-9-19(14-22)8-4-11-21(18(19)24)13-15-5-2-6-15/h3,7,10,15H,2,4-6,8-9,11-14H2,1H3
InChIKeyZIEOISAXCVXFOO-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.28
Rot. Bonds3

About 7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72916006) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72916006
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCn1cccc1C(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1
InChIInChI=1S/C19H27N3O2/c1-20-10-3-7-16(20)17(23)22-12-9-19(14-22)8-4-11-21(18(19)24)13-15-5-2-6-15/h3,7,10,15H,2,4-6,8-9,11-14H2,1H3
InChIKeyZIEOISAXCVXFOO-UHFFFAOYSA-N
XLogP2.28
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72916006) is 7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is Cn1cccc1C(=O)N1CCC2(CCCN(CC3CCC3)C2=O)C1.
What is the InChIKey of 7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZIEOISAXCVXFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-20-10-3-7-16(20)17(23)22-12-9-19(14-22)8-4-11-21(18(19)24)13-15-5-2-6-15/h3,7,10,15H,2,4-6,8-9,11-14H2,1H3.
What are the key properties of 7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 329.44 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-(1-methylpyrrole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72916006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).