N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide

C12H15NO2 — CID 174338742

IUPACN-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide
SMILESC#C/C=C(\C=C/CNC(=O)C1CC1)OC
InChIInChI=1S/C12H15NO2/c1-3-5-11(15-2)6-4-9-13-12(14)10-7-8-10/h1,4-6,10H,7-9H2,2H3,(H,13,14)/b6-4-,11-5+
InChIKeyOEWSPNPEFIATFO-NQTKGXIKSA-N
MW205.26 g/mol
LogP1.23
Rot. Bonds5

About N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide

N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide (PubChem CID 174338742) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide
PubChem CID174338742
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide
SMILESC#C/C=C(\C=C/CNC(=O)C1CC1)OC
InChIInChI=1S/C12H15NO2/c1-3-5-11(15-2)6-4-9-13-12(14)10-7-8-10/h1,4-6,10H,7-9H2,2H3,(H,13,14)/b6-4-,11-5+
InChIKeyOEWSPNPEFIATFO-NQTKGXIKSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-nona-2,6-dienylcyclopropanecarboxamide
CID 68854459
N-[(E)-but-2-enyl]piperidine-4-carboxamide
CID 131242610
N-[2-[[(E)-but-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 115569712
methyl (E)-3-[2-(cyclopropanecarbonylamino)ethylamino]prop-2-enoate
CID 103265522
4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 174774868
ethane;N-ethyl-4-hydroxycyclohexane-1-carboxamide
CID 164564557
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
4-butyl-N-[(E)-4-chlorobut-2-enyl]cyclohexane-1-carboxamide
CID 81429367
4-N-(4,4-dimethylpent-2-enyl)-1-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide
CID 166497234
methyl (E)-4-[(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)amino]but-2-enoate
CID 146099695
4-acetyl-N-(aminomethyl)cyclohexane-1-carboxamide
CID 169021448
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide (CID 174338742) is N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide is C#C/C=C(\C=C/CNC(=O)C1CC1)OC.
What is the InChIKey of N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide?
The InChIKey is OEWSPNPEFIATFO-NQTKGXIKSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-5-11(15-2)6-4-9-13-12(14)10-7-8-10/h1,4-6,10H,7-9H2,2H3,(H,13,14)/b6-4-,11-5+.
What are the key properties of N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide?
N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-4-methoxyhepta-2,4-dien-6-ynyl]cyclopropanecarboxamide is sourced from PubChem (CID 174338742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).