N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide

C8H13N3O — CID 10654640

IUPACN-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide
SMILESCNCCN(C=O)c1cc[nH]c1
InChIInChI=1S/C8H13N3O/c1-9-4-5-11(7-12)8-2-3-10-6-8/h2-3,6-7,9-10H,4-5H2,1H3
InChIKeyLISUGPHHMMHOHJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.20
Rot. Bonds5

About N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide

N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide (PubChem CID 10654640) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide
PubChem CID10654640
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide
SMILESCNCCN(C=O)c1cc[nH]c1
InChIInChI=1S/C8H13N3O/c1-9-4-5-11(7-12)8-2-3-10-6-8/h2-3,6-7,9-10H,4-5H2,1H3
InChIKeyLISUGPHHMMHOHJ-UHFFFAOYSA-N
XLogP0.20
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide?
The IUPAC name of N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide (CID 10654640) is N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide is CNCCN(C=O)c1cc[nH]c1.
What is the InChIKey of N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide?
The InChIKey is LISUGPHHMMHOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-9-4-5-11(7-12)8-2-3-10-6-8/h2-3,6-7,9-10H,4-5H2,1H3.
What are the key properties of N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide?
N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide has a molecular weight of 167.21 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-N-(1H-pyrrol-3-yl)formamide is sourced from PubChem (CID 10654640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).