(E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide

C10H13NO — CID 142030267

IUPAC(E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide
SMILESC#CC/C(C)=C(\C=C/C)C(N)=O
InChIInChI=1S/C10H13NO/c1-4-6-8(3)9(7-5-2)10(11)12/h1,5,7H,6H2,2-3H3,(H2,11,12)/b7-5-,9-8+
InChIKeyDRKMXEWAMYTJKK-SUHGFZJFSA-N
MW163.22 g/mol
LogP1.39
Rot. Bonds3

About (E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide

(E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide (PubChem CID 142030267) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide.

Molecular Properties

Compound Name(E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide
PubChem CID142030267
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide
SMILESC#CC/C(C)=C(\C=C/C)C(N)=O
InChIInChI=1S/C10H13NO/c1-4-6-8(3)9(7-5-2)10(11)12/h1,5,7H,6H2,2-3H3,(H2,11,12)/b7-5-,9-8+
InChIKeyDRKMXEWAMYTJKK-SUHGFZJFSA-N
XLogP1.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1-aminoethylidene)hex-5-yn-2-one
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(E)-but-2-enamide;ethane
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(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576
pent-3-en-2-one
CID 12248
but-2-enoyl chloride;2-methylprop-2-enamide
CID 174791232
acetic acid;but-3-ynoic acid
CID 175701054
hepta-2,5-dien-4-one
CID 54179619
(2Z,4Z)-2-ethynylhexa-2,4-diene-1,3-diamine
CID 138655682
(Z)-2-methyliminopent-3-enamide
CID 126689701
(Z)-1-aminopent-3-en-2-one
CID 143495154
(E)-4-(1-prop-2-ynylcyclohexyl)but-3-en-2-one
CID 15947838
N-[(Z)-1-aminobut-2-enylidene]acetamide;ethane
CID 144985407

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide?
The IUPAC name of (E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide (CID 142030267) is (E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide.
What is the SMILES notation for (E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide?
The canonical SMILES for (E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide is C#CC/C(C)=C(\C=C/C)C(N)=O.
What is the InChIKey of (E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide?
The InChIKey is DRKMXEWAMYTJKK-SUHGFZJFSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-6-8(3)9(7-5-2)10(11)12/h1,5,7H,6H2,2-3H3,(H2,11,12)/b7-5-,9-8+.
What are the key properties of (E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide?
(E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide has a molecular weight of 163.22 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-2-[(Z)-prop-1-enyl]hex-2-en-5-ynamide is sourced from PubChem (CID 142030267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).