N-pyrrol-1-ylprop-2-enamide

C7H8N2O — CID 5152855

IUPACN-pyrrol-1-ylprop-2-enamide
SMILESC=CC(=O)Nn1cccc1
InChIInChI=1S/C7H8N2O/c1-2-7(10)8-9-5-3-4-6-9/h2-6H,1H2,(H,8,10)
InChIKeyXLVGHHWPFWEHJF-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.74
Rot. Bonds2

About N-pyrrol-1-ylprop-2-enamide

N-pyrrol-1-ylprop-2-enamide (PubChem CID 5152855) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is N-pyrrol-1-ylprop-2-enamide.

Molecular Properties

Compound NameN-pyrrol-1-ylprop-2-enamide
PubChem CID5152855
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC NameN-pyrrol-1-ylprop-2-enamide
SMILESC=CC(=O)Nn1cccc1
InChIInChI=1S/C7H8N2O/c1-2-7(10)8-9-5-3-4-6-9/h2-6H,1H2,(H,8,10)
InChIKeyXLVGHHWPFWEHJF-UHFFFAOYSA-N
XLogP0.74
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-methyl-N-pyrrol-1-ylpropanamide
CID 114328870
3-bromo-N-pyrrol-1-ylprop-2-ynamide
CID 130775661
sodium;benzene;hydride;N-methylprop-2-enamide
CID 173390942
CID 173161904
CID 173161904
N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enamide
CID 154766209
N-(sulfanylmethyl)prop-2-enamide
CID 21197466
N-hydroxyprop-2-enamide;hydrochloride
CID 87262131
N'-(prop-2-enoylamino)prop-2-enehydrazide
CID 19028369
N-imidazolidin-1-ylprop-2-enamide
CID 68795651
4-iodo-N-pyrrol-1-ylbenzamide
CID 79107507
3-(ethylamino)-N-pyrrol-1-ylpropanamide
CID 79100027
N-(2,6-dimethylmorpholin-4-yl)prop-2-enamide
CID 23039338

Frequently Asked Questions

What is the IUPAC name of N-pyrrol-1-ylprop-2-enamide?
The IUPAC name of N-pyrrol-1-ylprop-2-enamide (CID 5152855) is N-pyrrol-1-ylprop-2-enamide.
What is the SMILES notation for N-pyrrol-1-ylprop-2-enamide?
The canonical SMILES for N-pyrrol-1-ylprop-2-enamide is C=CC(=O)Nn1cccc1.
What is the InChIKey of N-pyrrol-1-ylprop-2-enamide?
The InChIKey is XLVGHHWPFWEHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-7(10)8-9-5-3-4-6-9/h2-6H,1H2,(H,8,10).
What are the key properties of N-pyrrol-1-ylprop-2-enamide?
N-pyrrol-1-ylprop-2-enamide has a molecular weight of 136.15 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-ylprop-2-enamide is sourced from PubChem (CID 5152855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).