N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide

C18H21ClN2O2 — CID 100851024

IUPACN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide
SMILESO=C(N[C@H]1CCN2CCCC[C@@H]12)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H21ClN2O2/c19-14-4-5-17-12(10-14)9-13(11-23-17)18(22)20-15-6-8-21-7-2-1-3-16(15)21/h4-5,9-10,15-16H,1-3,6-8,11H2,(H,20,22)/t15-,16-/m0/s1
InChIKeyZKUPEOFMUVCZRZ-HOTGVXAUSA-N
MW332.83 g/mol
LogP2.86
Rot. Bonds2

About N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide

N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide (PubChem CID 100851024) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide
PubChem CID100851024
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide
SMILESO=C(N[C@H]1CCN2CCCC[C@@H]12)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C18H21ClN2O2/c19-14-4-5-17-12(10-14)9-13(11-23-17)18(22)20-15-6-8-21-7-2-1-3-16(15)21/h4-5,9-10,15-16H,1-3,6-8,11H2,(H,20,22)/t15-,16-/m0/s1
InChIKeyZKUPEOFMUVCZRZ-HOTGVXAUSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

6-chloro-N-pyrrolidin-3-yl-2H-chromene-3-carboxamide;hydrochloride
CID 119454003
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-chloro-2-nitrobenzamide
CID 94869858
6-chloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-chromene-3-carboxamide
CID 6930468
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-chlorobenzamide
CID 94121435
2-bromo-4-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzamide
CID 103765484
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-5-hydroxybenzamide
CID 106501584
[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
6-chloro-N-ethoxy-2H-chromene-3-carboxamide
CID 60700765
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-fluoro-3-sulfanylbenzamide
CID 107025814
1-(6-chloro-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43241864
5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-nitrobenzamide
CID 61040504

Frequently Asked Questions

What is the IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide (CID 100851024) is N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide is O=C(N[C@H]1CCN2CCCC[C@@H]12)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide?
The InChIKey is ZKUPEOFMUVCZRZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-14-4-5-17-12(10-14)9-13(11-23-17)18(22)20-15-6-8-21-7-2-1-3-16(15)21/h4-5,9-10,15-16H,1-3,6-8,11H2,(H,20,22)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide?
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-chloro-2H-chromene-3-carboxamide is sourced from PubChem (CID 100851024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).