N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide

C9H16N2O — CID 102583722

IUPACN-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCN2CCC[C@H]12
InChIInChI=1S/C9H16N2O/c1-7(12)10-8-4-6-11-5-2-3-9(8)11/h8-9H,2-6H2,1H3,(H,10,12)/t8-,9+/m0/s1
InChIKeySEAFEAVYMRMRKP-DTWKUNHWSA-N
MW168.24 g/mol
LogP0.36
Rot. Bonds1

About N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide

N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide (PubChem CID 102583722) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide
PubChem CID102583722
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide
SMILESCC(=O)N[C@H]1CCN2CCC[C@H]12
InChIInChI=1S/C9H16N2O/c1-7(12)10-8-4-6-11-5-2-3-9(8)11/h8-9H,2-6H2,1H3,(H,10,12)/t8-,9+/m0/s1
InChIKeySEAFEAVYMRMRKP-DTWKUNHWSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide?
The IUPAC name of N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide (CID 102583722) is N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide.
What is the SMILES notation for N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide?
The canonical SMILES for N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide is CC(=O)N[C@H]1CCN2CCC[C@H]12.
What is the InChIKey of N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide?
The InChIKey is SEAFEAVYMRMRKP-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(12)10-8-4-6-11-5-2-3-9(8)11/h8-9H,2-6H2,1H3,(H,10,12)/t8-,9+/m0/s1.
What are the key properties of N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide?
N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide has a molecular weight of 168.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]acetamide is sourced from PubChem (CID 102583722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).