N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide

C11H13NO — CID 166458880

IUPACN-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide
SMILESC#CC(/C=C\C(=C)CNC=O)=C/C
InChIInChI=1S/C11H13NO/c1-4-11(5-2)7-6-10(3)8-12-9-13/h1,5-7,9H,3,8H2,2H3,(H,12,13)/b7-6-,11-5-
InChIKeyHFGLKILSQGLYCG-PDDHADQFSA-N
MW175.23 g/mol
LogP1.42
Rot. Bonds5

About N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide

N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide (PubChem CID 166458880) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide.

Molecular Properties

Compound NameN-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide
PubChem CID166458880
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide
SMILESC#CC(/C=C\C(=C)CNC=O)=C/C
InChIInChI=1S/C11H13NO/c1-4-11(5-2)7-6-10(3)8-12-9-13/h1,5-7,9H,3,8H2,2H3,(H,12,13)/b7-6-,11-5-
InChIKeyHFGLKILSQGLYCG-PDDHADQFSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-2-methylidenepent-3-enyl]formamide
CID 143724109
N-(2-hydroxyprop-2-enyl)formamide
CID 87223348
ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene
CID 143837264
N-(3-methyl-2-oxobutyl)formamide
CID 64997253
N-(cyanomethyl)-2-formamidoacetamide
CID 143975878
N-ethyl-2-formamidoacetamide
CID 14481878
N-[2-(2-methylhydrazinyl)-2-oxoethyl]formamide
CID 145297208
2-formamido-N-hex-5-ynylacetamide
CID 143163619
(3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine
CID 155328555
2-formamidoacetic acid
CID 170552381
ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen
CID 169185190
2-formamidoacetic acid;hydrochloride
CID 174363412

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide?
The IUPAC name of N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide (CID 166458880) is N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide.
What is the SMILES notation for N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide?
The canonical SMILES for N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide is C#CC(/C=C\C(=C)CNC=O)=C/C.
What is the InChIKey of N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide?
The InChIKey is HFGLKILSQGLYCG-PDDHADQFSA-N. The full InChI is InChI=1S/C11H13NO/c1-4-11(5-2)7-6-10(3)8-12-9-13/h1,5-7,9H,3,8H2,2H3,(H,12,13)/b7-6-,11-5-.
What are the key properties of N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide?
N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide has a molecular weight of 175.23 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide is sourced from PubChem (CID 166458880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).