2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide

C21H31N3O2 — CID 166434293

IUPAC2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide
SMILESCn1ccc(C(=O)N2CCC3(CCCCC3NC(=O)C3CC3(C)C)C2)c1
InChIInChI=1S/C21H31N3O2/c1-20(2)12-16(20)18(25)22-17-6-4-5-8-21(17)9-11-24(14-21)19(26)15-7-10-23(3)13-15/h7,10,13,16-17H,4-6,8-9,11-12,14H2,1-3H3,(H,22,25)
InChIKeyIWMWMDJDJTZBFN-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.96
Rot. Bonds3

About 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide

2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide (PubChem CID 166434293) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide
PubChem CID166434293
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide
SMILESCn1ccc(C(=O)N2CCC3(CCCCC3NC(=O)C3CC3(C)C)C2)c1
InChIInChI=1S/C21H31N3O2/c1-20(2)12-16(20)18(25)22-17-6-4-5-8-21(17)9-11-24(14-21)19(26)15-7-10-23(3)13-15/h7,10,13,16-17H,4-6,8-9,11-12,14H2,1-3H3,(H,22,25)
InChIKeyIWMWMDJDJTZBFN-UHFFFAOYSA-N
XLogP2.96
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide (CID 166434293) is 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide is Cn1ccc(C(=O)N2CCC3(CCCCC3NC(=O)C3CC3(C)C)C2)c1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide?
The InChIKey is IWMWMDJDJTZBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-20(2)12-16(20)18(25)22-17-6-4-5-8-21(17)9-11-24(14-21)19(26)15-7-10-23(3)13-15/h7,10,13,16-17H,4-6,8-9,11-12,14H2,1-3H3,(H,22,25).
What are the key properties of 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide?
2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166434293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).