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

C11H20N2O — CID 19833400

IUPACN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide
SMILESCCN(C=O)CC12CCCC1CNC2
InChIInChI=1S/C11H20N2O/c1-2-13(9-14)8-11-5-3-4-10(11)6-12-7-11/h9-10,12H,2-8H2,1H3
InChIKeyPTXPYUVSHKMIKP-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds4

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

N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide (PubChem CID 19833400) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide.

Molecular Properties

Compound NameN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide
PubChem CID19833400
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide
SMILESCCN(C=O)CC12CCCC1CNC2
InChIInChI=1S/C11H20N2O/c1-2-13(9-14)8-11-5-3-4-10(11)6-12-7-11/h9-10,12H,2-8H2,1H3
InChIKeyPTXPYUVSHKMIKP-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.85
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-ethylformamide?
The IUPAC name of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide (CID 19833400) is N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide.
What is the SMILES notation for N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide?
The canonical SMILES for N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide is CCN(C=O)CC12CCCC1CNC2.
What is the InChIKey of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide?
The InChIKey is PTXPYUVSHKMIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-13(9-14)8-11-5-3-4-10(11)6-12-7-11/h9-10,12H,2-8H2,1H3.
What are the key properties of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide?
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide has a molecular weight of 196.29 g/mol, XLogP of 0.85, 4 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-ethylformamide is sourced from PubChem (CID 19833400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).