2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide

C11H17N3O — CID 106416709

IUPAC2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCc1cccn1C
InChIInChI=1S/C11H17N3O/c1-3-5-10(12)11(15)13-8-9-6-4-7-14(9)2/h3-4,6-7,10H,1,5,8,12H2,2H3,(H,13,15)
InChIKeyROOOXDDCNDDUKK-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.54
Rot. Bonds5

About 2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide

2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide (PubChem CID 106416709) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide
PubChem CID106416709
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCc1cccn1C
InChIInChI=1S/C11H17N3O/c1-3-5-10(12)11(15)13-8-9-6-4-7-14(9)2/h3-4,6-7,10H,1,5,8,12H2,2H3,(H,13,15)
InChIKeyROOOXDDCNDDUKK-UHFFFAOYSA-N
XLogP0.54
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-phenylacetamide
CID 114186160
2-methyl-3-[(1-methylpyrrol-2-yl)methylamino]-3-oxopropanoic acid
CID 106423129
2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 114186154
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide
CID 103006628
5-amino-N-[(1-methylpyrrol-2-yl)methyl]hexanamide
CID 106416804
2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide
CID 114332131
2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide
CID 106384829
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450
1-methoxy-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 130718702
2-(azetidin-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 106416766
4-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]butanamide
CID 106423340
1-amino-N-[(1-methylpyrrol-2-yl)methyl]cyclobutane-1-carboxamide
CID 106416698

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide?
The IUPAC name of 2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide (CID 106416709) is 2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide.
What is the SMILES notation for 2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide?
The canonical SMILES for 2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide is C=CCC(N)C(=O)NCc1cccn1C.
What is the InChIKey of 2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide?
The InChIKey is ROOOXDDCNDDUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-5-10(12)11(15)13-8-9-6-4-7-14(9)2/h3-4,6-7,10H,1,5,8,12H2,2H3,(H,13,15).
What are the key properties of 2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide?
2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide has a molecular weight of 207.28 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide is sourced from PubChem (CID 106416709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).