2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

C17H27N3O2 — CID 97370287

IUPAC2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(N1CCCC1)N1CCC2(CC1)CCN(CC1CC1)C2=O
InChIInChI=1S/C17H27N3O2/c21-15-17(7-12-20(15)13-14-3-4-14)5-10-19(11-6-17)16(22)18-8-1-2-9-18/h14H,1-13H2
InChIKeyWBMFPHNLMHTSKA-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.93
Rot. Bonds2

About 2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one

2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97370287) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97370287
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C(N1CCCC1)N1CCC2(CC1)CCN(CC1CC1)C2=O
InChIInChI=1S/C17H27N3O2/c21-15-17(7-12-20(15)13-14-3-4-14)5-10-19(11-6-17)16(22)18-8-1-2-9-18/h14H,1-13H2
InChIKeyWBMFPHNLMHTSKA-UHFFFAOYSA-N
XLogP1.93
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one (CID 97370287) is 2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is O=C(N1CCCC1)N1CCC2(CC1)CCN(CC1CC1)C2=O.
What is the InChIKey of 2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is WBMFPHNLMHTSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c21-15-17(7-12-20(15)13-14-3-4-14)5-10-19(11-6-17)16(22)18-8-1-2-9-18/h14H,1-13H2.
What are the key properties of 2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 305.42 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97370287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).