N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide

C9H15N3O — CID 116846512

IUPACN'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide
SMILESCNNC(=O)CCCc1cc[nH]c1
InChIInChI=1S/C9H15N3O/c1-10-12-9(13)4-2-3-8-5-6-11-7-8/h5-7,10-11H,2-4H2,1H3,(H,12,13)
InChIKeyWQWGSWXHLMYAMY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.59
Rot. Bonds5

About N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide

N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide (PubChem CID 116846512) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide.

Molecular Properties

Compound NameN'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide
PubChem CID116846512
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide
SMILESCNNC(=O)CCCc1cc[nH]c1
InChIInChI=1S/C9H15N3O/c1-10-12-9(13)4-2-3-8-5-6-11-7-8/h5-7,10-11H,2-4H2,1H3,(H,12,13)
InChIKeyWQWGSWXHLMYAMY-UHFFFAOYSA-N
XLogP0.59
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.59
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

N-butyl-4-(1H-pyrrol-3-yl)butanamide
CID 166152898
N-[6-(methylamino)-3-pyridinyl]-4-(1H-pyrrol-3-yl)butanamide
CID 115274733
3-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115176543
5-(4-bromophenyl)-N'-methylpentanehydrazide
CID 116846599
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384569
5-(3,4-difluorophenyl)-N'-methylpentanehydrazide
CID 116846626
N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide
CID 116846569
N'-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanehydrazide
CID 116846543
N'-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butanehydrazide
CID 116846538
N'-methyl-5-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanehydrazide
CID 116846652
3-chloro-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115162634

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide?
The IUPAC name of N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide (CID 116846512) is N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide.
What is the SMILES notation for N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide?
The canonical SMILES for N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide is CNNC(=O)CCCc1cc[nH]c1.
What is the InChIKey of N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide?
The InChIKey is WQWGSWXHLMYAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-10-12-9(13)4-2-3-8-5-6-11-7-8/h5-7,10-11H,2-4H2,1H3,(H,12,13).
What are the key properties of N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide?
N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide has a molecular weight of 181.24 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(1H-pyrrol-3-yl)butanehydrazide is sourced from PubChem (CID 116846512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).