benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate

C16H20N2O3 — CID 84576697

IUPACbenzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate
SMILESC=CCNC(=O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H20N2O3/c1-2-10-17-15(19)14-9-6-11-18(14)16(20)21-12-13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2,(H,17,19)
InChIKeyWTPUKFUUHSPWPO-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.09
Rot. Bonds5

About benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate

benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 84576697) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID84576697
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namebenzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate
SMILESC=CCNC(=O)C1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H20N2O3/c1-2-10-17-15(19)14-9-6-11-18(14)16(20)21-12-13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2,(H,17,19)
InChIKeyWTPUKFUUHSPWPO-UHFFFAOYSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
benzyl 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 84577175
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 13118734
1-O-benzyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane;2-methylprop-1-ene
CID 143105082
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
benzyl 2-[(4-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46502069
benzyl (2S)-2-(4-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 59893762
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate
CID 89441344
benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 91182280

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate (CID 84576697) is benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate is C=CCNC(=O)C1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is WTPUKFUUHSPWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-10-17-15(19)14-9-6-11-18(14)16(20)21-12-13-7-4-3-5-8-13/h2-5,7-8,14H,1,6,9-12H2,(H,17,19).
What are the key properties of benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate?
benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 84576697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).