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

C11H20N2O — CID 15015152

IUPACN-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide
SMILESCCN(C=O)C[C@]12CCC[C@H]1CNC2
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/t10-,11+/m0/s1
InChIKeyPTXPYUVSHKMIKP-WDEREUQCSA-N
MW196.29 g/mol
LogP0.85
Rot. Bonds4

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

N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide (PubChem CID 15015152) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide
PubChem CID15015152
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide
SMILESCCN(C=O)C[C@]12CCC[C@H]1CNC2
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/t10-,11+/m0/s1
InChIKeyPTXPYUVSHKMIKP-WDEREUQCSA-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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Related Compounds

N-[[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]acetamide
CID 14988973
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)acetamide
CID 19833397
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-ethylformamide
CID 19833400
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide
CID 19833406
N-[[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]methyl]formamide
CID 87569800
(3aS)-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
CID 145597006
N-(2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)formamide;ethane
CID 154670657
3,3-dimethyl-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole;formamide
CID 175066318
N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-methylformamide
CID 15015150
1-[3a-(Aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-1-one
CID 130588327
1-[3a-(Aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
CID 130588328
Methyl 3a-(aminomethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylate
CID 130597885

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide?
The IUPAC name of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide (CID 15015152) is N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide.
What is the SMILES notation for N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide?
The canonical SMILES for N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide is CCN(C=O)C[C@]12CCC[C@H]1CNC2.
What is the InChIKey of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide?
The InChIKey is PTXPYUVSHKMIKP-WDEREUQCSA-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/t10-,11+/m0/s1.
What are the key properties of N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide?
N-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-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-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]methyl]-N-ethylformamide is sourced from PubChem (CID 15015152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).