2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide

C19H26N2O — CID 97149001

IUPAC2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide
SMILESO=C(C[C@@H]1CCc2ccccc21)NCC12CCCN1CCC2
InChIInChI=1S/C19H26N2O/c22-18(13-16-8-7-15-5-1-2-6-17(15)16)20-14-19-9-3-11-21(19)12-4-10-19/h1-2,5-6,16H,3-4,7-14H2,(H,20,22)/t16-/m0/s1
InChIKeyUGCDIZRUUYRUPX-INIZCTEOSA-N
MW298.43 g/mol
LogP2.85
Rot. Bonds4

About 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide (PubChem CID 97149001) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide
PubChem CID97149001
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide
SMILESO=C(C[C@@H]1CCc2ccccc21)NCC12CCCN1CCC2
InChIInChI=1S/C19H26N2O/c22-18(13-16-8-7-15-5-1-2-6-17(15)16)20-14-19-9-3-11-21(19)12-4-10-19/h1-2,5-6,16H,3-4,7-14H2,(H,20,22)/t16-/m0/s1
InChIKeyUGCDIZRUUYRUPX-INIZCTEOSA-N
XLogP2.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 95986948
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 95986947
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 97118131
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-pyrrolidin-1-ylsulfonylethyl)acetamide
CID 50984766
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-phenylcyclobutyl)acetamide
CID 86955408
N-[2-[[2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]ethyl]-2,2,2-trifluoroacetamide
CID 95227390
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
1-(2,3-dihydro-1H-inden-1-ylmethyl)-2-methyl-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 119155904
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 98348274
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
CID 97122248

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide?
The IUPAC name of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide (CID 97149001) is 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide.
What is the SMILES notation for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide?
The canonical SMILES for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide is O=C(C[C@@H]1CCc2ccccc21)NCC12CCCN1CCC2.
What is the InChIKey of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide?
The InChIKey is UGCDIZRUUYRUPX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N2O/c22-18(13-16-8-7-15-5-1-2-6-17(15)16)20-14-19-9-3-11-21(19)12-4-10-19/h1-2,5-6,16H,3-4,7-14H2,(H,20,22)/t16-/m0/s1.
What are the key properties of 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide?
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)acetamide is sourced from PubChem (CID 97149001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).