N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide

C10H18N2O — CID 19833401

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1CCC2CNCC21
InChIInChI=1S/C10H18N2O/c1-7(13)12(2)10-4-3-8-5-11-6-9(8)10/h8-11H,3-6H2,1-2H3
InChIKeyHXNMXVISPAVQBQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.46
Rot. Bonds1

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide (PubChem CID 19833401) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide
PubChem CID19833401
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1CCC2CNCC21
InChIInChI=1S/C10H18N2O/c1-7(13)12(2)10-4-3-8-5-11-6-9(8)10/h8-11H,3-6H2,1-2H3
InChIKeyHXNMXVISPAVQBQ-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl 4-amino-octahydrocyclopenta[c]pyrrole-2-carboxylate
CID 42614523
Tert-butyl 4-(methylamino)-octahydrocyclopenta[c]pyrrole-2-carboxylate
CID 84048566
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-2,2,2-trifluoroacetamide
CID 130746371
1-[(3aR,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one
CID 99822359
1-[(3aR,4R,6aS)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3,3-trifluoropropan-1-one
CID 100686465
2-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 120326516
2-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 120326517
1-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4,4,4-trifluorobutan-1-one;hydrochloride
CID 120330171
1-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4,4,4-trifluorobutan-1-one
CID 120330172
1-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120332431
1-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,3,3-trifluoropropan-1-one
CID 120332432
1-(4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2,2,3,3-tetrafluoropropan-1-one;hydrochloride
CID 120332936

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide (CID 19833401) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide is CC(=O)N(C)C1CCC2CNCC21.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide?
The InChIKey is HXNMXVISPAVQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(13)12(2)10-4-3-8-5-11-6-9(8)10/h8-11H,3-6H2,1-2H3.
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide has a molecular weight of 182.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl)-N-methylacetamide is sourced from PubChem (CID 19833401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).