[2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine

C12H16N2O — CID 168529536

IUPAC[2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine
SMILESNN=Cc1ccccc1COCC1CC1
InChIInChI=1S/C12H16N2O/c13-14-7-11-3-1-2-4-12(11)9-15-8-10-5-6-10/h1-4,7,10H,5-6,8-9,13H2
InChIKeyIIEYRRMNBSKULB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.91
Rot. Bonds5

About [2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine

[2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine (PubChem CID 168529536) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is [2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine
PubChem CID168529536
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name[2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine
SMILESNN=Cc1ccccc1COCC1CC1
InChIInChI=1S/C12H16N2O/c13-14-7-11-3-1-2-4-12(11)9-15-8-10-5-6-10/h1-4,7,10H,5-6,8-9,13H2
InChIKeyIIEYRRMNBSKULB-UHFFFAOYSA-N
XLogP1.91
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine?
The IUPAC name of [2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine (CID 168529536) is [2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine.
What is the SMILES notation for [2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine?
The canonical SMILES for [2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine is NN=Cc1ccccc1COCC1CC1.
What is the InChIKey of [2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine?
The InChIKey is IIEYRRMNBSKULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-14-7-11-3-1-2-4-12(11)9-15-8-10-5-6-10/h1-4,7,10H,5-6,8-9,13H2.
What are the key properties of [2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine?
[2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine has a molecular weight of 204.27 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylmethoxymethyl)phenyl]methylidenehydrazine is sourced from PubChem (CID 168529536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).