N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C12H22N2O — CID 102890568

IUPACN-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCCCN(C)C(=O)C1NCC2CCCC21
InChIInChI=1S/C12H22N2O/c1-3-7-14(2)12(15)11-10-6-4-5-9(10)8-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyTUKQNDXNYPSWKX-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds3

About N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 102890568) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID102890568
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCCCN(C)C(=O)C1NCC2CCCC21
InChIInChI=1S/C12H22N2O/c1-3-7-14(2)12(15)11-10-6-4-5-9(10)8-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyTUKQNDXNYPSWKX-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892028
N-cyclohexyl-N-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890287
N-ethyl-N-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890558
N-(1-ethylpiperidin-4-yl)-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890692
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890726
N-[(2-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891896
N-cyclohexyl-N-(2-hydroxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891722
N-(2-cyanoethyl)-N-ethyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891918
3-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(cyclopropyl)amino]propanoic acid
CID 102892187
N-[(2-bromophenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891550
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891898
N-cyclopropyl-N-(3-methylbutyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891689

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 102890568) is N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CCCN(C)C(=O)C1NCC2CCCC21.
What is the InChIKey of N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is TUKQNDXNYPSWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-7-14(2)12(15)11-10-6-4-5-9(10)8-13-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 102890568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).