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

C7H10N2O — CID 57296445

IUPACN-[2-(1H-pyrrol-3-yl)ethyl]formamide
SMILESO=CNCCc1cc[nH]c1
InChIInChI=1S/C7H10N2O/c10-6-9-4-2-7-1-3-8-5-7/h1,3,5-6,8H,2,4H2,(H,9,10)
InChIKeyJVXZXNNHGFJPFY-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.30
Rot. Bonds4

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

N-[2-(1H-pyrrol-3-yl)ethyl]formamide (PubChem CID 57296445) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is N-[2-(1H-pyrrol-3-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(1H-pyrrol-3-yl)ethyl]formamide
PubChem CID57296445
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameN-[2-(1H-pyrrol-3-yl)ethyl]formamide
SMILESO=CNCCc1cc[nH]c1
InChIInChI=1S/C7H10N2O/c10-6-9-4-2-7-1-3-8-5-7/h1,3,5-6,8H,2,4H2,(H,9,10)
InChIKeyJVXZXNNHGFJPFY-UHFFFAOYSA-N
XLogP0.30
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(1H-pyrrol-3-yl)ethanamine
CID 82490381
2-(1H-pyrrol-3-yl)ethylurea
CID 115168515
N-ethyl-4-(1H-pyrrol-3-yl)butan-1-amine
CID 98013882
N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115258865
N-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl chloride
CID 115194921
methane;N-(2-phenylethyl)formamide
CID 143644399
N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine
CID 115198001
N-[2-(4-iodophenyl)ethyl]formamide
CID 87658292
2-(ethylamino)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 115158043
3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115176543
N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline
CID 115212835
2-(methylamino)-3-[2-(1H-pyrrol-3-yl)ethylamino]propanoic acid
CID 115256241

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrrol-3-yl)ethyl]formamide?
The IUPAC name of N-[2-(1H-pyrrol-3-yl)ethyl]formamide (CID 57296445) is N-[2-(1H-pyrrol-3-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(1H-pyrrol-3-yl)ethyl]formamide?
The canonical SMILES for N-[2-(1H-pyrrol-3-yl)ethyl]formamide is O=CNCCc1cc[nH]c1.
What is the InChIKey of N-[2-(1H-pyrrol-3-yl)ethyl]formamide?
The InChIKey is JVXZXNNHGFJPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c10-6-9-4-2-7-1-3-8-5-7/h1,3,5-6,8H,2,4H2,(H,9,10).
What are the key properties of N-[2-(1H-pyrrol-3-yl)ethyl]formamide?
N-[2-(1H-pyrrol-3-yl)ethyl]formamide has a molecular weight of 138.17 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrrol-3-yl)ethyl]formamide is sourced from PubChem (CID 57296445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).