benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride

C16H17ClN2O2 — CID 139270731

IUPACbenzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride
SMILESCl.O=C(NC1CNc2ccccc21)OCc1ccccc1
InChIInChI=1S/C16H16N2O2.ClH/c19-16(20-11-12-6-2-1-3-7-12)18-15-10-17-14-9-5-4-8-13(14)15;/h1-9,15,17H,10-11H2,(H,18,19);1H
InChIKeyPYNUBKWDAJMFLK-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.50
Rot. Bonds3

About benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride

benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride (PubChem CID 139270731) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride
PubChem CID139270731
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Namebenzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride
SMILESCl.O=C(NC1CNc2ccccc21)OCc1ccccc1
InChIInChI=1S/C16H16N2O2.ClH/c19-16(20-11-12-6-2-1-3-7-12)18-15-10-17-14-9-5-4-8-13(14)15;/h1-9,15,17H,10-11H2,(H,18,19);1H
InChIKeyPYNUBKWDAJMFLK-UHFFFAOYSA-N
XLogP3.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S,4R)-4-(phenylmethoxycarbonylamino)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
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(2R)-3-[(3S)-2,3-dihydro-1H-indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride?
The IUPAC name of benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride (CID 139270731) is benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride.
What is the SMILES notation for benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride?
The canonical SMILES for benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride is Cl.O=C(NC1CNc2ccccc21)OCc1ccccc1.
What is the InChIKey of benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride?
The InChIKey is PYNUBKWDAJMFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2.ClH/c19-16(20-11-12-6-2-1-3-7-12)18-15-10-17-14-9-5-4-8-13(14)15;/h1-9,15,17H,10-11H2,(H,18,19);1H.
What are the key properties of benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride?
benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride has a molecular weight of 304.78 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,3-dihydro-1H-indol-3-yl)carbamate;hydrochloride is sourced from PubChem (CID 139270731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).