3-[benzyl(ethyl)amino]cyclopent-2-en-1-one

C14H17NO — CID 104787684

IUPAC3-[benzyl(ethyl)amino]cyclopent-2-en-1-one
SMILESCCN(Cc1ccccc1)C1=CC(=O)CC1
InChIInChI=1S/C14H17NO/c1-2-15(13-8-9-14(16)10-13)11-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3
InChIKeyUJJMPMPFRFPHGE-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.76
Rot. Bonds4

About 3-[benzyl(ethyl)amino]cyclopent-2-en-1-one

3-[benzyl(ethyl)amino]cyclopent-2-en-1-one (PubChem CID 104787684) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]cyclopent-2-en-1-one
PubChem CID104787684
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-[benzyl(ethyl)amino]cyclopent-2-en-1-one
SMILESCCN(Cc1ccccc1)C1=CC(=O)CC1
InChIInChI=1S/C14H17NO/c1-2-15(13-8-9-14(16)10-13)11-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3
InChIKeyUJJMPMPFRFPHGE-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(dimethylamino)propyl-ethylamino]cyclopent-2-en-1-one
CID 102994053
3-[methyl(pyridin-4-ylmethyl)amino]cyclopent-2-en-1-one
CID 104787717
3-[tert-butyl(ethyl)amino]cyclopent-2-en-1-one
CID 130992491
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
4-[benzyl(ethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136970724
N-benzyl-N-methylnitrous amide
CID 13643
N-benzyl-4-(bromomethyl)-N-ethylaniline
CID 107079787
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
(5S)-5-[[benzyl(ethyl)amino]methyl]pyrrolidin-2-one
CID 123624620
2-[benzyl(ethyl)amino]benzenesulfonyl chloride
CID 19798141
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
[6-[benzyl(ethyl)amino]pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109120502

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[benzyl(ethyl)amino]cyclopent-2-en-1-one (CID 104787684) is 3-[benzyl(ethyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[benzyl(ethyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[benzyl(ethyl)amino]cyclopent-2-en-1-one is CCN(Cc1ccccc1)C1=CC(=O)CC1.
What is the InChIKey of 3-[benzyl(ethyl)amino]cyclopent-2-en-1-one?
The InChIKey is UJJMPMPFRFPHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-15(13-8-9-14(16)10-13)11-12-6-4-3-5-7-12/h3-7,10H,2,8-9,11H2,1H3.
What are the key properties of 3-[benzyl(ethyl)amino]cyclopent-2-en-1-one?
3-[benzyl(ethyl)amino]cyclopent-2-en-1-one has a molecular weight of 215.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104787684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).