methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide

C8H11N3 — CID 117043502

IUPACmethyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide
SMILESCN(C#N)CCc1ccc[nH]1
InChIInChI=1S/C8H11N3/c1-11(7-9)6-4-8-3-2-5-10-8/h2-3,5,10H,4,6H2,1H3
InChIKeyTZOCJWORXLMAQS-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.97
Rot. Bonds3

About methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide

methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide (PubChem CID 117043502) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide.

Molecular Properties

Compound Namemethyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide
PubChem CID117043502
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Namemethyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide
SMILESCN(C#N)CCc1ccc[nH]1
InChIInChI=1S/C8H11N3/c1-11(7-9)6-4-8-3-2-5-10-8/h2-3,5,10H,4,6H2,1H3
InChIKeyTZOCJWORXLMAQS-UHFFFAOYSA-N
XLogP0.97
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115196941
2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115258110
1-N,4-N-dimethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,4-diamine
CID 117041478
4-[methyl(1H-pyrrol-2-ylmethyl)amino]butanenitrile
CID 115231821
1-N,3-dimethyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115200886
3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115153081
1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115133017
2-[methyl(1H-pyrrol-2-ylmethyl)amino]propanenitrile
CID 115130274
N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine
CID 115205056
3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162696
molecular hydrogen;2-propyl-1H-pyrrole
CID 157161964
2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115186753

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide?
The IUPAC name of methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide (CID 117043502) is methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide.
What is the SMILES notation for methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide?
The canonical SMILES for methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide is CN(C#N)CCc1ccc[nH]1.
What is the InChIKey of methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide?
The InChIKey is TZOCJWORXLMAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-11(7-9)6-4-8-3-2-5-10-8/h2-3,5,10H,4,6H2,1H3.
What are the key properties of methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide?
methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide has a molecular weight of 149.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide is sourced from PubChem (CID 117043502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).