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

C8H12N2O2 — CID 103713450

IUPACmethyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1cccn1C
InChIInChI=1S/C8H12N2O2/c1-10-5-3-4-7(10)6-9-8(11)12-2/h3-5H,6H2,1-2H3,(H,9,11)
InChIKeyJSXMZTQNTKBACZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.88
Rot. Bonds2

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

methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate (PubChem CID 103713450) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
PubChem CID103713450
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
SMILESCOC(=O)NCc1cccn1C
InChIInChI=1S/C8H12N2O2/c1-10-5-3-4-7(10)6-9-8(11)12-2/h3-5H,6H2,1-2H3,(H,9,11)
InChIKeyJSXMZTQNTKBACZ-UHFFFAOYSA-N
XLogP0.88
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702
2-(ethylamino)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 106416598
2-[2-[(1-methylpyrrol-2-yl)methylamino]-2-oxoethoxy]acetic acid
CID 106414745
methyl N-[3-[(1-methylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 55039229
4-(1-methylpyrrol-2-yl)-N-[(1-methylpyrrol-2-yl)methyl]-2-oxobutanamide
CID 148872611
4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
CID 106423340
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]-3-oxopropanoic acid
CID 106423129
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
2-methyl-2-(methylamino)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 106416600
N-methoxy-1-(1-methylpyrrol-2-yl)methanamine
CID 82706215
3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
CID 106415778
ethyl 4-[(1-methylpyrrol-2-yl)methylamino]-4-oxobutanoate
CID 103713412

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate?
The IUPAC name of methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate (CID 103713450) is methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate is COC(=O)NCc1cccn1C.
What is the InChIKey of methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate?
The InChIKey is JSXMZTQNTKBACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10-5-3-4-7(10)6-9-8(11)12-2/h3-5H,6H2,1-2H3,(H,9,11).
What are the key properties of methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate?
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate has a molecular weight of 168.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate is sourced from PubChem (CID 103713450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).