N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide

C9H10N2O — CID 130684110

IUPACN-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide
SMILESC#CC(=O)NCCc1ccc[nH]1
InChIInChI=1S/C9H10N2O/c1-2-9(12)11-7-5-8-4-3-6-10-8/h1,3-4,6,10H,5,7H2,(H,11,12)
InChIKeyYPEONXSOLZBUTA-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.31
Rot. Bonds3

About N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide

N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide (PubChem CID 130684110) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide
PubChem CID130684110
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC NameN-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide
SMILESC#CC(=O)NCCc1ccc[nH]1
InChIInChI=1S/C9H10N2O/c1-2-9(12)11-7-5-8-4-3-6-10-8/h1,3-4,6,10H,5,7H2,(H,11,12)
InChIKeyYPEONXSOLZBUTA-UHFFFAOYSA-N
XLogP0.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115166553
3-oxo-3-[2-(1H-pyrrol-2-yl)ethylamino]propanoic acid
CID 115163534
3-chloro-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162633
3-amino-N-[2-(1H-pyrrol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 115161673
2-[2-(1H-pyrrol-2-yl)ethylamino]acetic acid
CID 83635683
3-amino-4-oxo-4-[2-(1H-pyrrol-2-yl)ethylamino]butanoic acid
CID 115181331
3-cyano-N-[2-(1H-pyrrol-2-yl)ethyl]oxetane-3-carboxamide
CID 115184815
4-[2-(1H-pyrrol-2-yl)ethylamino]butan-2-one
CID 115235928
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]hexadecanamide
CID 174517586
2-prop-2-ynyl-1H-pyrrole
CID 12008703
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N-[2-(1H-pyrrol-2-yl)ethyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 138026801

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide?
The IUPAC name of N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide (CID 130684110) is N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide.
What is the SMILES notation for N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide?
The canonical SMILES for N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide is C#CC(=O)NCCc1ccc[nH]1.
What is the InChIKey of N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide?
The InChIKey is YPEONXSOLZBUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-9(12)11-7-5-8-4-3-6-10-8/h1,3-4,6,10H,5,7H2,(H,11,12).
What are the key properties of N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide?
N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide has a molecular weight of 162.19 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrrol-2-yl)ethyl]prop-2-ynamide is sourced from PubChem (CID 130684110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).