(2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide

C20H25ClN2O3 — CID 146066720

IUPAC(2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide
SMILESO=C1CC[C@H]2C[C@@](C(=O)NCC3CCOCC3)(c3ccccc3Cl)CN12
InChIInChI=1S/C20H25ClN2O3/c21-17-4-2-1-3-16(17)20(11-15-5-6-18(24)23(15)13-20)19(25)22-12-14-7-9-26-10-8-14/h1-4,14-15H,5-13H2,(H,22,25)/t15-,20-/m0/s1
InChIKeyFHSTZHDTEYOJNF-YWZLYKJASA-N
MW376.88 g/mol
LogP2.52
Rot. Bonds4

About (2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide

(2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide (PubChem CID 146066720) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is (2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide.

Molecular Properties

Compound Name(2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide
PubChem CID146066720
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name(2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide
SMILESO=C1CC[C@H]2C[C@@](C(=O)NCC3CCOCC3)(c3ccccc3Cl)CN12
InChIInChI=1S/C20H25ClN2O3/c21-17-4-2-1-3-16(17)20(11-15-5-6-18(24)23(15)13-20)19(25)22-12-14-7-9-26-10-8-14/h1-4,14-15H,5-13H2,(H,22,25)/t15-,20-/m0/s1
InChIKeyFHSTZHDTEYOJNF-YWZLYKJASA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide?
The IUPAC name of (2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide (CID 146066720) is (2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide.
What is the SMILES notation for (2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide?
The canonical SMILES for (2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide is O=C1CC[C@H]2C[C@@](C(=O)NCC3CCOCC3)(c3ccccc3Cl)CN12.
What is the InChIKey of (2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide?
The InChIKey is FHSTZHDTEYOJNF-YWZLYKJASA-N. The full InChI is InChI=1S/C20H25ClN2O3/c21-17-4-2-1-3-16(17)20(11-15-5-6-18(24)23(15)13-20)19(25)22-12-14-7-9-26-10-8-14/h1-4,14-15H,5-13H2,(H,22,25)/t15-,20-/m0/s1.
What are the key properties of (2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide?
(2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide has a molecular weight of 376.88 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-2-(2-chlorophenyl)-N-(oxan-4-ylmethyl)-5-oxo-3,6,7,8-tetrahydro-1H-pyrrolizine-2-carboxamide is sourced from PubChem (CID 146066720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).