(E)-N-tert-butyl-2-oxohept-3-enamide

C11H19NO2 — CID 56659565

IUPAC(E)-N-tert-butyl-2-oxohept-3-enamide
SMILESCCC/C=C/C(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-5-6-7-8-9(13)10(14)12-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/b8-7+
InChIKeyGALVPQPJIGDINP-BQYQJAHWSA-N
MW197.28 g/mol
LogP1.83
Rot. Bonds4

About (E)-N-tert-butyl-2-oxohept-3-enamide

(E)-N-tert-butyl-2-oxohept-3-enamide (PubChem CID 56659565) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-N-tert-butyl-2-oxohept-3-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-2-oxohept-3-enamide
PubChem CID56659565
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E)-N-tert-butyl-2-oxohept-3-enamide
SMILESCCC/C=C/C(=O)C(=O)NC(C)(C)C
InChIInChI=1S/C11H19NO2/c1-5-6-7-8-9(13)10(14)12-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/b8-7+
InChIKeyGALVPQPJIGDINP-BQYQJAHWSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601
(4E,7E)-undeca-4,7-dien-6-one
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(E)-hex-2-enoic acid
CID 5282707
docosakis(hex-2-enoic acid);phosphane
CID 174896095
N-chlorohex-2-enamide
CID 140536866
2,2-dimethyldec-6-en-5-one
CID 141426644
CID 90268379
CID 90268379
hexadec-4-ene-6,7-dione
CID 3416010
(E)-hex-2-enamide;hydrochloride
CID 141291310
N-propylhex-2-enamide
CID 88538823
(2E,4Z)-N-tert-butyldeca-2,4-dienamide
CID 87311123
N-chlorohex-2-enamide;N,N-dimethylmethanamine
CID 172860490

Frequently Asked Questions

What is the IUPAC name of (E)-N-tert-butyl-2-oxohept-3-enamide?
The IUPAC name of (E)-N-tert-butyl-2-oxohept-3-enamide (CID 56659565) is (E)-N-tert-butyl-2-oxohept-3-enamide.
What is the SMILES notation for (E)-N-tert-butyl-2-oxohept-3-enamide?
The canonical SMILES for (E)-N-tert-butyl-2-oxohept-3-enamide is CCC/C=C/C(=O)C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-2-oxohept-3-enamide?
The InChIKey is GALVPQPJIGDINP-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-6-7-8-9(13)10(14)12-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)/b8-7+.
What are the key properties of (E)-N-tert-butyl-2-oxohept-3-enamide?
(E)-N-tert-butyl-2-oxohept-3-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-2-oxohept-3-enamide is sourced from PubChem (CID 56659565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).