1-phenylmethoxypent-4-en-2-ylhydrazine

C12H18N2O — CID 131026578

IUPAC1-phenylmethoxypent-4-en-2-ylhydrazine
SMILESC=CCC(COCc1ccccc1)NN
InChIInChI=1S/C12H18N2O/c1-2-6-12(14-13)10-15-9-11-7-4-3-5-8-11/h2-5,7-8,12,14H,1,6,9-10,13H2
InChIKeyKXGSVSGLMUCGJQ-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.61
Rot. Bonds7

About 1-phenylmethoxypent-4-en-2-ylhydrazine

1-phenylmethoxypent-4-en-2-ylhydrazine (PubChem CID 131026578) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-phenylmethoxypent-4-en-2-ylhydrazine.

Molecular Properties

Compound Name1-phenylmethoxypent-4-en-2-ylhydrazine
PubChem CID131026578
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-phenylmethoxypent-4-en-2-ylhydrazine
SMILESC=CCC(COCc1ccccc1)NN
InChIInChI=1S/C12H18N2O/c1-2-6-12(14-13)10-15-9-11-7-4-3-5-8-11/h2-5,7-8,12,14H,1,6,9-10,13H2
InChIKeyKXGSVSGLMUCGJQ-UHFFFAOYSA-N
XLogP1.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenylmethoxybut-3-en-2-ylhydrazine
CID 131115304
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
[(2R)-2-(iodomethyl)pent-4-enoxy]methylbenzene
CID 42611473
1-phenylmethoxyhex-4-yn-2-ylhydrazine
CID 131186397
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
(2S,3S)-N-benzyl-1,2-bis(phenylmethoxy)hex-5-en-3-amine
CID 101218139
(2R,3S)-4-phenylmethoxy-2-prop-2-enylbutane-1,3-diol
CID 13355189
methyl (2S)-2-[(1S,2S)-1-hydroxy-2-methyl-3-phenylmethoxypropyl]pent-4-enoate
CID 11323799
[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
CID 10514563
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
CID 67804121
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
N-[(2S)-1-phenylmethoxyhex-5-en-2-yl]benzamide
CID 169000160

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxypent-4-en-2-ylhydrazine?
The IUPAC name of 1-phenylmethoxypent-4-en-2-ylhydrazine (CID 131026578) is 1-phenylmethoxypent-4-en-2-ylhydrazine.
What is the SMILES notation for 1-phenylmethoxypent-4-en-2-ylhydrazine?
The canonical SMILES for 1-phenylmethoxypent-4-en-2-ylhydrazine is C=CCC(COCc1ccccc1)NN.
What is the InChIKey of 1-phenylmethoxypent-4-en-2-ylhydrazine?
The InChIKey is KXGSVSGLMUCGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-6-12(14-13)10-15-9-11-7-4-3-5-8-11/h2-5,7-8,12,14H,1,6,9-10,13H2.
What are the key properties of 1-phenylmethoxypent-4-en-2-ylhydrazine?
1-phenylmethoxypent-4-en-2-ylhydrazine has a molecular weight of 206.29 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxypent-4-en-2-ylhydrazine is sourced from PubChem (CID 131026578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).