ethyl (E)-4-formamido-6-methylhept-2-enoate

C11H19NO3 — CID 5373485

IUPACethyl (E)-4-formamido-6-methylhept-2-enoate
SMILESCCOC(=O)/C=C/C(CC(C)C)NC=O
InChIInChI=1S/C11H19NO3/c1-4-15-11(14)6-5-10(12-8-13)7-9(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,12,13)/b6-5+
InChIKeyBWFOVASFAMQEGD-AATRIKPKSA-N
MW213.28 g/mol
LogP1.27
Rot. Bonds7

About ethyl (E)-4-formamido-6-methylhept-2-enoate

ethyl (E)-4-formamido-6-methylhept-2-enoate (PubChem CID 5373485) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl (E)-4-formamido-6-methylhept-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-formamido-6-methylhept-2-enoate
PubChem CID5373485
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl (E)-4-formamido-6-methylhept-2-enoate
SMILESCCOC(=O)/C=C/C(CC(C)C)NC=O
InChIInChI=1S/C11H19NO3/c1-4-15-11(14)6-5-10(12-8-13)7-9(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,12,13)/b6-5+
InChIKeyBWFOVASFAMQEGD-AATRIKPKSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-formamido-6-methylhept-2-enoate?
The IUPAC name of ethyl (E)-4-formamido-6-methylhept-2-enoate (CID 5373485) is ethyl (E)-4-formamido-6-methylhept-2-enoate.
What is the SMILES notation for ethyl (E)-4-formamido-6-methylhept-2-enoate?
The canonical SMILES for ethyl (E)-4-formamido-6-methylhept-2-enoate is CCOC(=O)/C=C/C(CC(C)C)NC=O.
What is the InChIKey of ethyl (E)-4-formamido-6-methylhept-2-enoate?
The InChIKey is BWFOVASFAMQEGD-AATRIKPKSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-15-11(14)6-5-10(12-8-13)7-9(2)3/h5-6,8-10H,4,7H2,1-3H3,(H,12,13)/b6-5+.
What are the key properties of ethyl (E)-4-formamido-6-methylhept-2-enoate?
ethyl (E)-4-formamido-6-methylhept-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-formamido-6-methylhept-2-enoate is sourced from PubChem (CID 5373485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).