2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide

C10H17ClN2O — CID 43695810

IUPAC2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide
SMILESCC(Cl)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C10H17ClN2O/c1-7(11)10(14)12-8-4-6-13-5-2-3-9(8)13/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyKFWYTSSZUOKZQD-UHFFFAOYSA-N
MW216.71 g/mol
LogP0.97
Rot. Bonds2

About 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide

2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide (PubChem CID 43695810) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide
PubChem CID43695810
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide
SMILESCC(Cl)C(=O)NC1CCN2CCCC12
InChIInChI=1S/C10H17ClN2O/c1-7(11)10(14)12-8-4-6-13-5-2-3-9(8)13/h7-9H,2-6H2,1H3,(H,12,14)
InChIKeyKFWYTSSZUOKZQD-UHFFFAOYSA-N
XLogP0.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methyl-2-sulfanylbutanamide
CID 107025889
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-bromopropanamide
CID 107903723
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)propanamide;dihydrochloride
CID 119857996
2-bromo-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanamide
CID 62855383
(2S,3S)-2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-methylpentanamide
CID 61155991
2-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methylbutanamide;dihydrochloride
CID 119857973
(2R)-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylcarbamoylamino)propanoic acid
CID 78972537
N-[(2S)-1-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 97000585
N-[(2S)-1-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 97000583
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)butanediamide
CID 54928214
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrrolidine-1-carboxamide
CID 115584130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide?
The IUPAC name of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide (CID 43695810) is 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide?
The canonical SMILES for 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide is CC(Cl)C(=O)NC1CCN2CCCC12.
What is the InChIKey of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide?
The InChIKey is KFWYTSSZUOKZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O/c1-7(11)10(14)12-8-4-6-13-5-2-3-9(8)13/h7-9H,2-6H2,1H3,(H,12,14).
What are the key properties of 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide?
2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide has a molecular weight of 216.71 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)propanamide is sourced from PubChem (CID 43695810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).