N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide

C16H17N3O4 — CID 78829676

IUPACN'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1OC
InChIInChI=1S/C16H17N3O4/c1-3-9-23-13-7-6-11(10-14(13)22-2)15(20)18-19-16(21)12-5-4-8-17-12/h3-8,10,17H,1,9H2,2H3,(H,18,20)(H,19,21)
InChIKeyZURHYNTVIXWOKS-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.66
Rot. Bonds6

About N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide

N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 78829676) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID78829676
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1OC
InChIInChI=1S/C16H17N3O4/c1-3-9-23-13-7-6-11(10-14(13)22-2)15(20)18-19-16(21)12-5-4-8-17-12/h3-8,10,17H,1,9H2,2H3,(H,18,20)(H,19,21)
InChIKeyZURHYNTVIXWOKS-UHFFFAOYSA-N
XLogP1.66
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(3-phenylpropyl)-4-prop-2-enoxybenzamide
CID 27647355
3-methoxy-N'-[2-(3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 24538794
3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
CID 27167629
N'-(3-methoxy-4-prop-2-enoxybenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 24540850
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537216
N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 78836860
3-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249472
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24551293

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide (CID 78829676) is N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide is C=CCOc1ccc(C(=O)NNC(=O)c2ccc[nH]2)cc1OC.
What is the InChIKey of N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is ZURHYNTVIXWOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-3-9-23-13-7-6-11(10-14(13)22-2)15(20)18-19-16(21)12-5-4-8-17-12/h3-8,10,17H,1,9H2,2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide?
N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 315.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxy-4-prop-2-enoxybenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78829676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).