N-(3-pyrrol-1-ylpropyl)formamide

C8H12N2O — CID 88560062

IUPACN-(3-pyrrol-1-ylpropyl)formamide
SMILESO=CNCCCn1cccc1
InChIInChI=1S/C8H12N2O/c11-8-9-4-3-7-10-5-1-2-6-10/h1-2,5-6,8H,3-4,7H2,(H,9,11)
InChIKeyYYUWGHPZHKMFQI-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.62
Rot. Bonds5

About N-(3-pyrrol-1-ylpropyl)formamide

N-(3-pyrrol-1-ylpropyl)formamide (PubChem CID 88560062) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is N-(3-pyrrol-1-ylpropyl)formamide.

Molecular Properties

Compound NameN-(3-pyrrol-1-ylpropyl)formamide
PubChem CID88560062
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC NameN-(3-pyrrol-1-ylpropyl)formamide
SMILESO=CNCCCn1cccc1
InChIInChI=1S/C8H12N2O/c11-8-9-4-3-7-10-5-1-2-6-10/h1-2,5-6,8H,3-4,7H2,(H,9,11)
InChIKeyYYUWGHPZHKMFQI-UHFFFAOYSA-N
XLogP0.62
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrol-1-ylpropyl)formamide?
The IUPAC name of N-(3-pyrrol-1-ylpropyl)formamide (CID 88560062) is N-(3-pyrrol-1-ylpropyl)formamide.
What is the SMILES notation for N-(3-pyrrol-1-ylpropyl)formamide?
The canonical SMILES for N-(3-pyrrol-1-ylpropyl)formamide is O=CNCCCn1cccc1.
What is the InChIKey of N-(3-pyrrol-1-ylpropyl)formamide?
The InChIKey is YYUWGHPZHKMFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-8-9-4-3-7-10-5-1-2-6-10/h1-2,5-6,8H,3-4,7H2,(H,9,11).
What are the key properties of N-(3-pyrrol-1-ylpropyl)formamide?
N-(3-pyrrol-1-ylpropyl)formamide has a molecular weight of 152.20 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrol-1-ylpropyl)formamide is sourced from PubChem (CID 88560062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).