benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate

C22H21NO3 — CID 154707578

IUPACbenzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate
SMILESC=C(C1=CC(=O)CC1)C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO3/c1-16(19-12-13-20(24)14-19)21(18-10-6-3-7-11-18)23-22(25)26-15-17-8-4-2-5-9-17/h2-11,14,21H,1,12-13,15H2,(H,23,25)
InChIKeyUKDSPADWOMIEPO-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.50
Rot. Bonds6

About benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate

benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate (PubChem CID 154707578) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate
PubChem CID154707578
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Namebenzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate
SMILESC=C(C1=CC(=O)CC1)C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO3/c1-16(19-12-13-20(24)14-19)21(18-10-6-3-7-11-18)23-22(25)26-15-17-8-4-2-5-9-17/h2-11,14,21H,1,12-13,15H2,(H,23,25)
InChIKeyUKDSPADWOMIEPO-UHFFFAOYSA-N
XLogP4.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
CID 99625
(1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl)-Carbamic Acid Benzyl Ester
CID 5287438
benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
CID 56947089
Benzyl 1-phenylethylcarbamate
CID 9837961
(S)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 2755911
(R)-(((Phenylmethoxy)carbonyl)amino)phenylacetic acid
CID 87183
(((Phenylmethoxy)carbonyl)amino)phenylacetic acid
CID 98996
Peptidyl ene diones, COOEt
CID 10983274
Cbz-L-Phenylalaninal
CID 7021150
benzyl N-[(R)-[(1S,2S)-2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl](phenyl)methyl]carbamate
CID 56947088
CID 137651934
CID 137651934
benzyl N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenyloct-4-en-3-yl]amino]-3-phenylpropan-2-yl]carbamate
CID 155526723

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate?
The IUPAC name of benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate (CID 154707578) is benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate is C=C(C1=CC(=O)CC1)C(NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate?
The InChIKey is UKDSPADWOMIEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-16(19-12-13-20(24)14-19)21(18-10-6-3-7-11-18)23-22(25)26-15-17-8-4-2-5-9-17/h2-11,14,21H,1,12-13,15H2,(H,23,25).
What are the key properties of benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate?
benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate has a molecular weight of 347.41 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(3-oxocyclopenten-1-yl)-1-phenylprop-2-enyl]carbamate is sourced from PubChem (CID 154707578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).