N'-hept-1-en-4-ylbenzohydrazide

C14H20N2O — CID 77139407

IUPACN'-hept-1-en-4-ylbenzohydrazide
SMILESC=CCC(CCC)NNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-3-8-13(9-4-2)15-16-14(17)12-10-6-5-7-11-12/h3,5-7,10-11,13,15H,1,4,8-9H2,2H3,(H,16,17)
InChIKeyDANCOKIFCJURNK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.67
Rot. Bonds7

About N'-hept-1-en-4-ylbenzohydrazide

N'-hept-1-en-4-ylbenzohydrazide (PubChem CID 77139407) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-hept-1-en-4-ylbenzohydrazide.

Molecular Properties

Compound NameN'-hept-1-en-4-ylbenzohydrazide
PubChem CID77139407
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN'-hept-1-en-4-ylbenzohydrazide
SMILESC=CCC(CCC)NNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-3-8-13(9-4-2)15-16-14(17)12-10-6-5-7-11-12/h3,5-7,10-11,13,15H,1,4,8-9H2,2H3,(H,16,17)
InChIKeyDANCOKIFCJURNK-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(4S)-undec-1-en-4-yl]benzohydrazide
CID 142708092
N-hept-1-en-4-yl-2-phenylacetamide
CID 10331469
N'-(3-methylnon-1-en-4-yl)benzohydrazide
CID 12032198
propan-2-yl 2-(2-benzoylhydrazinyl)pent-4-enoate
CID 23154580
N'-(1-thiophen-3-ylbut-3-enyl)benzohydrazide
CID 139242060
potassium 3-benzamidohexanoate
CID 101304473
ethyl 2-(2-benzoylhydrazinyl)propanoate
CID 19432092
N'-[(3S,4R)-3,6-dimethylhept-1-en-4-yl]benzohydrazide
CID 15422396
N-[(3S)-3-hydroxyhex-5-enyl]benzamide
CID 101251672
N-(1-methoxybut-3-enyl)benzamide
CID 3700027
N'-(4,4-dimethyl-1-phenylhex-5-en-3-yl)benzohydrazide
CID 101142591
N-(1-chloropentyl)benzamide
CID 154358932

Frequently Asked Questions

What is the IUPAC name of N'-hept-1-en-4-ylbenzohydrazide?
The IUPAC name of N'-hept-1-en-4-ylbenzohydrazide (CID 77139407) is N'-hept-1-en-4-ylbenzohydrazide.
What is the SMILES notation for N'-hept-1-en-4-ylbenzohydrazide?
The canonical SMILES for N'-hept-1-en-4-ylbenzohydrazide is C=CCC(CCC)NNC(=O)c1ccccc1.
What is the InChIKey of N'-hept-1-en-4-ylbenzohydrazide?
The InChIKey is DANCOKIFCJURNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-8-13(9-4-2)15-16-14(17)12-10-6-5-7-11-12/h3,5-7,10-11,13,15H,1,4,8-9H2,2H3,(H,16,17).
What are the key properties of N'-hept-1-en-4-ylbenzohydrazide?
N'-hept-1-en-4-ylbenzohydrazide has a molecular weight of 232.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hept-1-en-4-ylbenzohydrazide is sourced from PubChem (CID 77139407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).