N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide

C10H18N2O — CID 19833406

IUPACN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide
SMILESCN(C=O)CC12CCCC1CNC2
InChIInChI=1S/C10H18N2O/c1-12(8-13)7-10-4-2-3-9(10)5-11-6-10/h8-9,11H,2-7H2,1H3
InChIKeyJPPAZOUMHHUNGT-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.46
Rot. Bonds3

About N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide

N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide (PubChem CID 19833406) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide.

Molecular Properties

Compound NameN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide
PubChem CID19833406
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide
SMILESCN(C=O)CC12CCCC1CNC2
InChIInChI=1S/C10H18N2O/c1-12(8-13)7-10-4-2-3-9(10)5-11-6-10/h8-9,11H,2-7H2,1H3
InChIKeyJPPAZOUMHHUNGT-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide?
The IUPAC name of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide (CID 19833406) is N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide.
What is the SMILES notation for N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide?
The canonical SMILES for N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide is CN(C=O)CC12CCCC1CNC2.
What is the InChIKey of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide?
The InChIKey is JPPAZOUMHHUNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12(8-13)7-10-4-2-3-9(10)5-11-6-10/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide?
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide has a molecular weight of 182.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide is sourced from PubChem (CID 19833406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).