N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide

C11H15N3O — CID 106390836

IUPACN-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCc1ccn(C)c1
InChIInChI=1S/C11H15N3O/c1-3-5-12-8-11(15)13-7-10-4-6-14(2)9-10/h1,4,6,9,12H,5,7-8H2,2H3,(H,13,15)
InChIKeyORCDBKXRHMEQMR-UHFFFAOYSA-N
MW205.26 g/mol
LogP-0.14
Rot. Bonds5

About N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide

N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 106390836) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
PubChem CID106390836
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCc1ccn(C)c1
InChIInChI=1S/C11H15N3O/c1-3-5-12-8-11(15)13-7-10-4-6-14(2)9-10/h1,4,6,9,12H,5,7-8H2,2H3,(H,13,15)
InChIKeyORCDBKXRHMEQMR-UHFFFAOYSA-N
XLogP-0.14
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103722342
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]butanamide
CID 110782535
N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 110782459
N-[(3-methylphenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287743
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673
N-[(3-bromophenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79287243
2-(prop-2-ynylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 78909532
2-[(2-methylpropan-2-yl)oxy]-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103943197
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
N-[(1-methylpyrrol-3-yl)methyl]but-3-yn-1-amine
CID 66397506
2-(2-methoxyethoxy)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103721962
2-methyl-N-[4-[[[2-(prop-2-ynylamino)acetyl]amino]methyl]phenyl]propanamide
CID 78915789

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide (CID 106390836) is N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCc1ccn(C)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is ORCDBKXRHMEQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-5-12-8-11(15)13-7-10-4-6-14(2)9-10/h1,4,6,9,12H,5,7-8H2,2H3,(H,13,15).
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide?
N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 205.26 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 106390836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).