N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide

C8H13N3O — CID 116847036

IUPACN'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide
SMILESCNNC(=O)C(C)c1cc[nH]c1
InChIInChI=1S/C8H13N3O/c1-6(8(12)11-9-2)7-3-4-10-5-7/h3-6,9-10H,1-2H3,(H,11,12)
InChIKeyJZVPZNZTXXXTOA-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.37
Rot. Bonds3

About N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide

N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide (PubChem CID 116847036) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide.

Molecular Properties

Compound NameN'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide
PubChem CID116847036
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide
SMILESCNNC(=O)C(C)c1cc[nH]c1
InChIInChI=1S/C8H13N3O/c1-6(8(12)11-9-2)7-3-4-10-5-7/h3-6,9-10H,1-2H3,(H,11,12)
InChIKeyJZVPZNZTXXXTOA-UHFFFAOYSA-N
XLogP0.37
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N'-methylpropanehydrazide
CID 116846978
2-(4-chlorophenyl)-N'-methylpropanehydrazide
CID 116846979
tert-butyl N-[2-(2-methylhydrazinyl)-2-oxo-1-(1H-pyrrol-3-yl)ethyl]carbamate
CID 116849478
2-acetamido-2-(1H-pyrrol-3-yl)acetic acid
CID 14212860
N'-methyl-2-(1-methylbenzimidazol-5-yl)propanehydrazide
CID 116847070
methyl 3-methyl-2-[methylamino(1H-pyrrol-3-yl)methyl]butanoate
CID 116960470
2-(4-methoxy-3-methylphenyl)-N'-methylpropanehydrazide
CID 116846983
3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide
CID 116850660
N'-methyl-2-(2,3,4-trimethylphenyl)propanehydrazide
CID 116847102
N'-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propanehydrazide
CID 116847020
methyl 2-[amino(1H-pyrrol-3-yl)methyl]-3-methylbutanoate
CID 116946090
4-(dimethylamino)-2-methyl-4-(1H-pyrrol-3-yl)butanoic acid
CID 116908269

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide?
The IUPAC name of N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide (CID 116847036) is N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide.
What is the SMILES notation for N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide?
The canonical SMILES for N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide is CNNC(=O)C(C)c1cc[nH]c1.
What is the InChIKey of N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide?
The InChIKey is JZVPZNZTXXXTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(8(12)11-9-2)7-3-4-10-5-7/h3-6,9-10H,1-2H3,(H,11,12).
What are the key properties of N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide?
N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide has a molecular weight of 167.21 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide is sourced from PubChem (CID 116847036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).