benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate

C20H20N2O3 — CID 110405630

IUPACbenzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)C1(CCCC1)C(=O)N2)OCc1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18-20(10-4-5-11-20)16-12-15(8-9-17(16)22-18)21-19(24)25-13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,24)(H,22,23)
InChIKeyLEUSISODHGRVMT-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.20
Rot. Bonds3

About benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate

benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate (PubChem CID 110405630) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate
PubChem CID110405630
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namebenzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate
SMILESO=C(Nc1ccc2c(c1)C1(CCCC1)C(=O)N2)OCc1ccccc1
InChIInChI=1S/C20H20N2O3/c23-18-20(10-4-5-11-20)16-12-15(8-9-17(16)22-18)21-19(24)25-13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,24)(H,22,23)
InChIKeyLEUSISODHGRVMT-UHFFFAOYSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)propanamide
CID 110405573
benzyl N-(4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepin-7-yl)carbamate
CID 166967831
N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)thiophene-2-carboxamide
CID 110405577
3-(4-methoxyphenyl)-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)propanamide
CID 110405638
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
2-[(2R)-8-(phenylmethoxycarbonylamino)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl]acetic acid
CID 70078382
benzyl N-(3,4-dihydro-1H-isochromen-6-yl)carbamate
CID 86594253
ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate
CID 67154749
benzyl N-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)carbamate
CID 110778827
benzyl 3-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-3-hydroxypiperidine-1-carboxylate
CID 54214549
benzyl (3S)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 102192246
benzyl N-[3-fluoro-4-(3-hydroxythiolan-3-yl)phenyl]carbamate
CID 140988545

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate?
The IUPAC name of benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate (CID 110405630) is benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate.
What is the SMILES notation for benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate?
The canonical SMILES for benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate is O=C(Nc1ccc2c(c1)C1(CCCC1)C(=O)N2)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate?
The InChIKey is LEUSISODHGRVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18-20(10-4-5-11-20)16-12-15(8-9-17(16)22-18)21-19(24)25-13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,24)(H,22,23).
What are the key properties of benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate?
benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate has a molecular weight of 336.39 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)carbamate is sourced from PubChem (CID 110405630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).