N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide

C11H12N2O — CID 167961676

IUPACN'-phenylbicyclo[1.1.0]butane-1-carbohydrazide
SMILESO=C(NNc1ccccc1)C12CC1C2
InChIInChI=1S/C11H12N2O/c14-10(11-6-8(11)7-11)13-12-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,13,14)
InChIKeyJFFKDVCOUSLUIP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.54
Rot. Bonds3

About N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide

N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide (PubChem CID 167961676) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide.

Molecular Properties

Compound NameN'-phenylbicyclo[1.1.0]butane-1-carbohydrazide
PubChem CID167961676
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN'-phenylbicyclo[1.1.0]butane-1-carbohydrazide
SMILESO=C(NNc1ccccc1)C12CC1C2
InChIInChI=1S/C11H12N2O/c14-10(11-6-8(11)7-11)13-12-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,13,14)
InChIKeyJFFKDVCOUSLUIP-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide?
The IUPAC name of N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide (CID 167961676) is N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide.
What is the SMILES notation for N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide?
The canonical SMILES for N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide is O=C(NNc1ccccc1)C12CC1C2.
What is the InChIKey of N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide?
The InChIKey is JFFKDVCOUSLUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-10(11-6-8(11)7-11)13-12-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H,13,14).
What are the key properties of N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide?
N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide has a molecular weight of 188.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenylbicyclo[1.1.0]butane-1-carbohydrazide is sourced from PubChem (CID 167961676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).