N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide

C9H14N2O — CID 155302110

IUPACN'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide
SMILESC=C/C=C\C(C)NNC(=O)C=C
InChIInChI=1S/C9H14N2O/c1-4-6-7-8(3)10-11-9(12)5-2/h4-8,10H,1-2H2,3H3,(H,11,12)/b7-6-
InChIKeyNMONIKPRSGHFQD-SREVYHEPSA-N
MW166.22 g/mol
LogP0.92
Rot. Bonds5

About N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide

N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide (PubChem CID 155302110) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide.

Molecular Properties

Compound NameN'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide
PubChem CID155302110
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC NameN'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide
SMILESC=C/C=C\C(C)NNC(=O)C=C
InChIInChI=1S/C9H14N2O/c1-4-6-7-8(3)10-11-9(12)5-2/h4-8,10H,1-2H2,3H3,(H,11,12)/b7-6-
InChIKeyNMONIKPRSGHFQD-SREVYHEPSA-N
XLogP0.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N'-(1-hydroxypropyl)prop-2-enehydrazide
CID 140549480
2-hydroxy-2-(2-prop-2-enoylhydrazinyl)acetic acid
CID 152650647
N'-methylprop-2-enehydrazide
CID 19086393
(3E)-2-methylhexa-3,5-dienoic acid
CID 22754992
N'-(prop-2-enoylamino)prop-2-enehydrazide
CID 19028369
(3E)-2-methylhexa-3,5-dienoate
CID 22754991
[2-methyl-1-(prop-2-enoylamino)propyl]phosphonic acid
CID 22111436
N-buta-1,3-dienylprop-2-enamide;bis(propan-2-one)
CID 88842550
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
4-methyl-N-prop-2-enoylpent-2-enamide
CID 140774476
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226

Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide?
The IUPAC name of N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide (CID 155302110) is N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide.
What is the SMILES notation for N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide?
The canonical SMILES for N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide is C=C/C=C\C(C)NNC(=O)C=C.
What is the InChIKey of N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide?
The InChIKey is NMONIKPRSGHFQD-SREVYHEPSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-6-7-8(3)10-11-9(12)5-2/h4-8,10H,1-2H2,3H3,(H,11,12)/b7-6-.
What are the key properties of N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide?
N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide has a molecular weight of 166.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-hexa-3,5-dien-2-yl]prop-2-enehydrazide is sourced from PubChem (CID 155302110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).