1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide

C10H17N3O2 — CID 79285269

IUPAC1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide
SMILESC=CCNCC(=O)N1CCCC1C(N)=O
InChIInChI=1S/C10H17N3O2/c1-2-5-12-7-9(14)13-6-3-4-8(13)10(11)15/h2,8,12H,1,3-7H2,(H2,11,15)
InChIKeyMBOLBXYGWDKPRD-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.76
Rot. Bonds5

About 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide

1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide (PubChem CID 79285269) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide
PubChem CID79285269
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide
SMILESC=CCNCC(=O)N1CCCC1C(N)=O
InChIInChI=1S/C10H17N3O2/c1-2-5-12-7-9(14)13-6-3-4-8(13)10(11)15/h2,8,12H,1,3-7H2,(H2,11,15)
InChIKeyMBOLBXYGWDKPRD-UHFFFAOYSA-N
XLogP-0.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide
CID 143684092
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
(2S)-1-[2-(carbamothioylamino)acetyl]pyrrolidine-2-carboxamide;ethane
CID 143879715
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide
CID 97315922
(2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 142833524
1-(2-anilinoacetyl)pyrrolidine-2-carboxamide
CID 60860590
1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxamide
CID 76688417
1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 43212210

Frequently Asked Questions

What is the IUPAC name of 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide (CID 79285269) is 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide is C=CCNCC(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is MBOLBXYGWDKPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-5-12-7-9(14)13-6-3-4-8(13)10(11)15/h2,8,12H,1,3-7H2,(H2,11,15).
What are the key properties of 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide?
1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 211.26 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79285269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).