benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate

C14H16N2O2 — CID 130161324

IUPACbenzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
SMILESCn1cccc1CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-16-9-5-8-13(16)10-15-14(17)18-11-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,15,17)
InChIKeyQVIZRTWIBLWQMU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.45
Rot. Bonds4

About benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate

benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate (PubChem CID 130161324) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
PubChem CID130161324
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namebenzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
SMILESCn1cccc1CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-16-9-5-8-13(16)10-15-14(17)18-11-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,15,17)
InChIKeyQVIZRTWIBLWQMU-UHFFFAOYSA-N
XLogP2.45
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13001569
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
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CID 71477342
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
benzyl N-[(2,3-dimethyl-3,4-diaza-2-azonia-1-azanidacyclopent-4-en-5-yl)methyl]carbamate
CID 163688009
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-ethylcarbamate;ethane;molecular hydrogen
CID 143096019
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate (CID 130161324) is benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate is Cn1cccc1CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate?
The InChIKey is QVIZRTWIBLWQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-9-5-8-13(16)10-15-14(17)18-11-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,15,17).
What are the key properties of benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate?
benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate has a molecular weight of 244.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1-methylpyrrol-2-yl)methyl]carbamate is sourced from PubChem (CID 130161324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).