ethyl 2-formamido-5-methylhex-4-enoate

C10H17NO3 — CID 10465363

IUPACethyl 2-formamido-5-methylhex-4-enoate
SMILESCCOC(=O)C(CC=C(C)C)NC=O
InChIInChI=1S/C10H17NO3/c1-4-14-10(13)9(11-7-12)6-5-8(2)3/h5,7,9H,4,6H2,1-3H3,(H,11,12)
InChIKeyPKZAONWQWNOBBX-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds6

About ethyl 2-formamido-5-methylhex-4-enoate

ethyl 2-formamido-5-methylhex-4-enoate (PubChem CID 10465363) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-formamido-5-methylhex-4-enoate.

Molecular Properties

Compound Nameethyl 2-formamido-5-methylhex-4-enoate
PubChem CID10465363
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-formamido-5-methylhex-4-enoate
SMILESCCOC(=O)C(CC=C(C)C)NC=O
InChIInChI=1S/C10H17NO3/c1-4-14-10(13)9(11-7-12)6-5-8(2)3/h5,7,9H,4,6H2,1-3H3,(H,11,12)
InChIKeyPKZAONWQWNOBBX-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
ethyl (2S)-6-amino-2-formamidohexanoate
CID 57231978
ethyl (2S)-4-cyano-2-formamidobutanoate
CID 131857866
ethyl 2-(3-methylbut-2-enylamino)butanoate
CID 106188404
ethyl 2-(diethylamino)-5-methylhex-4-enoate
CID 23265794
ethyl (2R)-3-diethoxyphosphoryl-2-formamidopropanoate
CID 102070420
ethyl 2-(3-methylbut-2-enylamino)pentanoate
CID 103520467
ethyl (2Z)-3,4,7-trimethylocta-2,6-dienoate
CID 14526716
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
ethyl (2S)-5-(diaminomethylideneamino)-2-formamidopentanoate;hydrochloride
CID 141184905
ethyl 2-(methylamino)-4-oxobutanoate
CID 145228105
3-(1-ethoxy-1-oxobutan-2-yl)sulfanyl-2-formamidopropanoic acid
CID 64663170

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formamido-5-methylhex-4-enoate?
The IUPAC name of ethyl 2-formamido-5-methylhex-4-enoate (CID 10465363) is ethyl 2-formamido-5-methylhex-4-enoate.
What is the SMILES notation for ethyl 2-formamido-5-methylhex-4-enoate?
The canonical SMILES for ethyl 2-formamido-5-methylhex-4-enoate is CCOC(=O)C(CC=C(C)C)NC=O.
What is the InChIKey of ethyl 2-formamido-5-methylhex-4-enoate?
The InChIKey is PKZAONWQWNOBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-14-10(13)9(11-7-12)6-5-8(2)3/h5,7,9H,4,6H2,1-3H3,(H,11,12).
What are the key properties of ethyl 2-formamido-5-methylhex-4-enoate?
ethyl 2-formamido-5-methylhex-4-enoate has a molecular weight of 199.25 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamido-5-methylhex-4-enoate is sourced from PubChem (CID 10465363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).