benzyl 3-ethyl-2-formamidopent-2-enoate

C15H19NO3 — CID 71389094

IUPACbenzyl 3-ethyl-2-formamidopent-2-enoate
SMILESCCC(CC)=C(NC=O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-13(4-2)14(16-11-17)15(18)19-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,17)
InChIKeyBGBHRPDEMRSOBN-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.55
Rot. Bonds7

About benzyl 3-ethyl-2-formamidopent-2-enoate

benzyl 3-ethyl-2-formamidopent-2-enoate (PubChem CID 71389094) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl 3-ethyl-2-formamidopent-2-enoate.

Molecular Properties

Compound Namebenzyl 3-ethyl-2-formamidopent-2-enoate
PubChem CID71389094
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl 3-ethyl-2-formamidopent-2-enoate
SMILESCCC(CC)=C(NC=O)C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-13(4-2)14(16-11-17)15(18)19-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,17)
InChIKeyBGBHRPDEMRSOBN-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenylmethoxypent-2-enal
CID 10821515
3-O-benzyl 1-O-ethyl 2-methylidenepropanedioate
CID 118947180
benzyl propanoate;hydrochloride
CID 140986165
dibenzyl 2-(ethoxymethylidene)propanedioate
CID 70388369
benzyl ethylcarbamoyl carbonate
CID 174255630
benzyl 3-ethoxy-2-methylprop-2-enoate
CID 70625989
(Z)-2-phenylmethoxybut-2-enal
CID 155092165
benzyl (Z)-2-(cyclopentanecarbonylamino)-3-methylpent-2-enoate
CID 100937539
benzyl 2-methylprop-2-enoate;butane
CID 174907722
dimethyl 2-[4-[1,3-dioxo-1,3-bis(phenylmethoxy)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propanedioate
CID 101114631
3-O-benzyl 1-O-methyl (2Z)-2-benzylidenepropanedioate
CID 14168531
dibenzyl 2-(3-methylbutylidene)propanedioate
CID 68653947

Frequently Asked Questions

What is the IUPAC name of benzyl 3-ethyl-2-formamidopent-2-enoate?
The IUPAC name of benzyl 3-ethyl-2-formamidopent-2-enoate (CID 71389094) is benzyl 3-ethyl-2-formamidopent-2-enoate.
What is the SMILES notation for benzyl 3-ethyl-2-formamidopent-2-enoate?
The canonical SMILES for benzyl 3-ethyl-2-formamidopent-2-enoate is CCC(CC)=C(NC=O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-ethyl-2-formamidopent-2-enoate?
The InChIKey is BGBHRPDEMRSOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-13(4-2)14(16-11-17)15(18)19-10-12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,17).
What are the key properties of benzyl 3-ethyl-2-formamidopent-2-enoate?
benzyl 3-ethyl-2-formamidopent-2-enoate has a molecular weight of 261.32 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-ethyl-2-formamidopent-2-enoate is sourced from PubChem (CID 71389094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).