ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate

C10H15NO2 — CID 130395838

IUPACethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1=CCN2CCC[C@@H]12
InChIInChI=1S/C10H15NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h5,9H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeySEVRIGDEENMTLC-VIFPVBQESA-N
MW181.24 g/mol
LogP0.95
Rot. Bonds2

About ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate

ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate (PubChem CID 130395838) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate
PubChem CID130395838
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Nameethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate
SMILESCCOC(=O)C1=CCN2CCC[C@@H]12
InChIInChI=1S/C10H15NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h5,9H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeySEVRIGDEENMTLC-VIFPVBQESA-N
XLogP0.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate?
The IUPAC name of ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate (CID 130395838) is ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate.
What is the SMILES notation for ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate?
The canonical SMILES for ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate is CCOC(=O)C1=CCN2CCC[C@@H]12.
What is the InChIKey of ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate?
The InChIKey is SEVRIGDEENMTLC-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-13-10(12)8-5-7-11-6-3-4-9(8)11/h5,9H,2-4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate?
ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate has a molecular weight of 181.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (8S)-5,6,7,8-tetrahydro-3H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 130395838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).