N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide

C16H17N3O2 — CID 27673727

IUPACN'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
SMILESC[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C16H17N3O2/c1-11-10-13(11)16(21)18-17-15(20)12-6-2-3-7-14(12)19-8-4-5-9-19/h2-9,11,13H,10H2,1H3,(H,17,20)(H,18,21)/t11-,13-/m1/s1
InChIKeyVKLCJDSKGBSEOL-DGCLKSJQSA-N
MW283.33 g/mol
LogP1.89
Rot. Bonds3

About N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide

N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide (PubChem CID 27673727) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide.

Molecular Properties

Compound NameN'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
PubChem CID27673727
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
SMILESC[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C16H17N3O2/c1-11-10-13(11)16(21)18-17-15(20)12-6-2-3-7-14(12)19-8-4-5-9-19/h2-9,11,13H,10H2,1H3,(H,17,20)(H,18,21)/t11-,13-/m1/s1
InChIKeyVKLCJDSKGBSEOL-DGCLKSJQSA-N
XLogP1.89
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N'-(2-methylcyclopropanecarbonyl)benzohydrazide
CID 47102090
4-[[(2-pyrrol-1-ylbenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 166394212
N'-(2-methylsulfanylbenzoyl)-2-pyrrol-1-ylbenzohydrazide
CID 4807845
1-cyclopropyl-3-[(2-pyrrol-1-ylbenzoyl)amino]thiourea
CID 4774855
N'-(2-pyrrol-1-ylbenzoyl)-2-(trifluoromethyl)benzohydrazide
CID 4807808
2-methylsulfanyl-N'-(2-pyrrol-1-ylbenzoyl)pyridine-3-carbohydrazide
CID 7996121
N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide
CID 97315545
4-bromo-N'-[(1R,2R)-2-methylcyclopropanecarbonyl]benzohydrazide
CID 27663275
4-bromo-N'-[(1S,2S)-2-methylcyclopropanecarbonyl]benzohydrazide
CID 27663274
N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]adamantane-1-carboxamide
CID 4807831
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-2-pyrrol-1-ylbenzohydrazide
CID 9314013
N'-(2-naphthalen-2-yloxyacetyl)-2-pyrrol-1-ylbenzohydrazide
CID 9314038

Frequently Asked Questions

What is the IUPAC name of N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide?
The IUPAC name of N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide (CID 27673727) is N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide.
What is the SMILES notation for N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide?
The canonical SMILES for N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide is C[C@@H]1C[C@H]1C(=O)NNC(=O)c1ccccc1-n1cccc1.
What is the InChIKey of N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide?
The InChIKey is VKLCJDSKGBSEOL-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-10-13(11)16(21)18-17-15(20)12-6-2-3-7-14(12)19-8-4-5-9-19/h2-9,11,13H,10H2,1H3,(H,17,20)(H,18,21)/t11-,13-/m1/s1.
What are the key properties of N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide?
N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide has a molecular weight of 283.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide is sourced from PubChem (CID 27673727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).