ethyl N-(1H-pyrrol-2-ylmethyl)carbamate

C8H12N2O2 — CID 110374915

IUPACethyl N-(1H-pyrrol-2-ylmethyl)carbamate
SMILESCCOC(=O)NCc1ccc[nH]1
InChIInChI=1S/C8H12N2O2/c1-2-12-8(11)10-6-7-4-3-5-9-7/h3-5,9H,2,6H2,1H3,(H,10,11)
InChIKeyRAIZPZYBEBCWMD-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.26
Rot. Bonds3

About ethyl N-(1H-pyrrol-2-ylmethyl)carbamate

ethyl N-(1H-pyrrol-2-ylmethyl)carbamate (PubChem CID 110374915) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is ethyl N-(1H-pyrrol-2-ylmethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(1H-pyrrol-2-ylmethyl)carbamate
PubChem CID110374915
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameethyl N-(1H-pyrrol-2-ylmethyl)carbamate
SMILESCCOC(=O)NCc1ccc[nH]1
InChIInChI=1S/C8H12N2O2/c1-2-12-8(11)10-6-7-4-3-5-9-7/h3-5,9H,2,6H2,1H3,(H,10,11)
InChIKeyRAIZPZYBEBCWMD-UHFFFAOYSA-N
XLogP1.26
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1H-pyrrol-2-ylmethyl)oxamide
CID 115191836
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 115156710
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
benzene;ethyl N-benzylcarbamate
CID 67715166
2-propyl-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 75431827
N-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110445345
[2-[(ethoxycarbonylamino)methyl]phenyl]methylcarbamic acid
CID 175218190
4-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110464679
ethyl 2-[2-(1H-pyrrol-2-yl)ethylamino]acetate
CID 115257497
ethyl 2,2-difluoro-3-(1H-pyrrol-2-yl)propanoate
CID 165462656
methyl 1-(1H-pyrrol-2-ylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 115184286
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1H-pyrrol-2-ylmethyl)carbamate?
The IUPAC name of ethyl N-(1H-pyrrol-2-ylmethyl)carbamate (CID 110374915) is ethyl N-(1H-pyrrol-2-ylmethyl)carbamate.
What is the SMILES notation for ethyl N-(1H-pyrrol-2-ylmethyl)carbamate?
The canonical SMILES for ethyl N-(1H-pyrrol-2-ylmethyl)carbamate is CCOC(=O)NCc1ccc[nH]1.
What is the InChIKey of ethyl N-(1H-pyrrol-2-ylmethyl)carbamate?
The InChIKey is RAIZPZYBEBCWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-12-8(11)10-6-7-4-3-5-9-7/h3-5,9H,2,6H2,1H3,(H,10,11).
What are the key properties of ethyl N-(1H-pyrrol-2-ylmethyl)carbamate?
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate has a molecular weight of 168.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1H-pyrrol-2-ylmethyl)carbamate is sourced from PubChem (CID 110374915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).