N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C14H21N3O — CID 106416786

IUPACN-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCn1cccc1CNC(=O)C1CC12CCNCC2
InChIInChI=1S/C14H21N3O/c1-17-8-2-3-11(17)10-16-13(18)12-9-14(12)4-6-15-7-5-14/h2-3,8,12,15H,4-7,9-10H2,1H3,(H,16,18)
InChIKeyPAROBDKASUESGS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.03
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 106416786) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID106416786
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCn1cccc1CNC(=O)C1CC12CCNCC2
InChIInChI=1S/C14H21N3O/c1-17-8-2-3-11(17)10-16-13(18)12-9-14(12)4-6-15-7-5-14/h2-3,8,12,15H,4-7,9-10H2,1H3,(H,16,18)
InChIKeyPAROBDKASUESGS-UHFFFAOYSA-N
XLogP1.03
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 106416786) is N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cn1cccc1CNC(=O)C1CC12CCNCC2.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is PAROBDKASUESGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17-8-2-3-11(17)10-16-13(18)12-9-14(12)4-6-15-7-5-14/h2-3,8,12,15H,4-7,9-10H2,1H3,(H,16,18).
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 106416786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).