benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate

C19H18N2O2 — CID 102327563

IUPACbenzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate
SMILESO=C(N[C@H]1Cc2cc3ccccc3n2C1)OCc1ccccc1
InChIInChI=1S/C19H18N2O2/c22-19(23-13-14-6-2-1-3-7-14)20-16-11-17-10-15-8-4-5-9-18(15)21(17)12-16/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
InChIKeyLZQUTOLQDFWBMA-INIZCTEOSA-N
MW306.37 g/mol
LogP3.49
Rot. Bonds3

About benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate

benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate (PubChem CID 102327563) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate
PubChem CID102327563
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Namebenzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate
SMILESO=C(N[C@H]1Cc2cc3ccccc3n2C1)OCc1ccccc1
InChIInChI=1S/C19H18N2O2/c22-19(23-13-14-6-2-1-3-7-14)20-16-11-17-10-15-8-4-5-9-18(15)21(17)12-16/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
InChIKeyLZQUTOLQDFWBMA-INIZCTEOSA-N
XLogP3.49
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate (CID 102327563) is benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate is O=C(N[C@H]1Cc2cc3ccccc3n2C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate?
The InChIKey is LZQUTOLQDFWBMA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(23-13-14-6-2-1-3-7-14)20-16-11-17-10-15-8-4-5-9-18(15)21(17)12-16/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1.
What are the key properties of benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate?
benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate has a molecular weight of 306.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]carbamate is sourced from PubChem (CID 102327563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).