N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide

C19H27N3O2 — CID 154874096

IUPACN-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC1CCCN1C(=O)C12CCCCC1C2
InChIInChI=1S/C19H27N3O2/c1-21-10-5-8-16(21)17(23)20-13-15-7-4-11-22(15)18(24)19-9-3-2-6-14(19)12-19/h5,8,10,14-15H,2-4,6-7,9,11-13H2,1H3,(H,20,23)
InChIKeyBXUWUDZJACXUEY-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.33
Rot. Bonds4

About N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 154874096) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID154874096
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCC1CCCN1C(=O)C12CCCCC1C2
InChIInChI=1S/C19H27N3O2/c1-21-10-5-8-16(21)17(23)20-13-15-7-4-11-22(15)18(24)19-9-3-2-6-14(19)12-19/h5,8,10,14-15H,2-4,6-7,9,11-13H2,1H3,(H,20,23)
InChIKeyBXUWUDZJACXUEY-UHFFFAOYSA-N
XLogP2.33
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide with MolForge

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 64866563
[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 164631850
N-[[(5S,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816768
N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97476595
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899755
2-methyl-2-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120545119
1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
CID 141062303
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 110473133
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 154874096) is N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCC1CCCN1C(=O)C12CCCCC1C2.
What is the InChIKey of N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is BXUWUDZJACXUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-10-5-8-16(21)17(23)20-13-15-7-4-11-22(15)18(24)19-9-3-2-6-14(19)12-19/h5,8,10,14-15H,2-4,6-7,9,11-13H2,1H3,(H,20,23).
What are the key properties of N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bicyclo[4.1.0]heptane-1-carbonyl)pyrrolidin-2-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 154874096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).