[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate

C10H17NO2 — CID 163191201

IUPAC[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCN2CCC[C@H]12
InChIInChI=1S/C10H17NO2/c1-8(12)13-7-9-4-6-11-5-2-3-10(9)11/h9-10H,2-7H2,1H3/t9-,10+/m0/s1
InChIKeyRHGLPNYASVWIET-VHSXEESVSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds2

About [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate

[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate (PubChem CID 163191201) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate.

Molecular Properties

Compound Name[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate
PubChem CID163191201
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1CCN2CCC[C@H]12
InChIInChI=1S/C10H17NO2/c1-8(12)13-7-9-4-6-11-5-2-3-10(9)11/h9-10H,2-7H2,1H3/t9-,10+/m0/s1
InChIKeyRHGLPNYASVWIET-VHSXEESVSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Chysin A
CID 12345304
ethyl (1R,7aR)-hexahydro-1H-pyrrolizine-1-carboxylate
CID 11240842
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl (2R)-2-methylbutanoate
CID 163053575
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 558075
Ethyl tetrahydro-1H-pyrrolizine-7A(5H)-acetate
CID 13463200
(+)-1-Hydroxymethyl-pyrrolizidine butanoic acid ester
CID 67189194
ethyl (8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 134924768
[(1S,2R,7R,8R)-2,7-diacetyloxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate
CID 135033610
1H-Pyrrolizine-1-methoanol, 7-(acetyloxy)hexahydro, acetate (ester), (1S-(1alpha,7alpha,7abeta))-
CID 151555
2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl acetate
CID 318513
9-Acetyltrachelanthamidine
CID 13967757
Ethyl hexahydro-3,3-dimethyl-1H-pyrrolizine-1-carboxylate
CID 5200240

Frequently Asked Questions

What is the IUPAC name of [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate?
The IUPAC name of [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate (CID 163191201) is [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate.
What is the SMILES notation for [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate?
The canonical SMILES for [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate is CC(=O)OC[C@@H]1CCN2CCC[C@H]12.
What is the InChIKey of [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate?
The InChIKey is RHGLPNYASVWIET-VHSXEESVSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)13-7-9-4-6-11-5-2-3-10(9)11/h9-10H,2-7H2,1H3/t9-,10+/m0/s1.
What are the key properties of [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate?
[(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate has a molecular weight of 183.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl acetate is sourced from PubChem (CID 163191201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).