(E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide

C8H11N3O — CID 69408064

IUPAC(E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide
SMILESCn1cccc1/C=C/C(=O)NN
InChIInChI=1S/C8H11N3O/c1-11-6-2-3-7(11)4-5-8(12)10-9/h2-6H,9H2,1H3,(H,10,12)/b5-4+
InChIKeyBVKJPCOANIMZEQ-SNAWJCMRSA-N
MW165.20 g/mol
LogP0.03
Rot. Bonds2

About (E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide

(E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide (PubChem CID 69408064) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is (E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide
PubChem CID69408064
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name(E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide
SMILESCn1cccc1/C=C/C(=O)NN
InChIInChI=1S/C8H11N3O/c1-11-6-2-3-7(11)4-5-8(12)10-9/h2-6H,9H2,1H3,(H,10,12)/b5-4+
InChIKeyBVKJPCOANIMZEQ-SNAWJCMRSA-N
XLogP0.03
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylpyrrol-2-yl)prop-2-enehydrazide
CID 69408066
(E)-3-(1-methylpyrrol-2-yl)prop-2-enoate
CID 7129065
(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
3-(1-methylpyrrol-2-yl)prop-2-enal
CID 54354656
2-fluoro-3-(1-methylpyrrol-2-yl)prop-2-enoic acid
CID 79726569
(E)-N-ethenyl-N'-methyl-3-(1-methylpyrrol-2-yl)prop-2-enimidamide
CID 123628198
1-methyl-2-[(Z)-2-[2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]phenyl]ethenyl]pyrrole
CID 23242926
1-methylpyrrole-2-carboxamide;hydrochloride
CID 21428931
3-[4-(2-phenylethenyl)phenyl]prop-2-enehydrazide
CID 70432340
1-methylpyrrole-2-carbaldehyde;hydrobromide
CID 175223674
2-[(E)-3,3-dimethylbut-1-enyl]-1-methylpyrrole
CID 146324112
(Z)-3-(1-propan-2-ylpyrrol-2-yl)prop-2-enamide
CID 55267150

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide?
The IUPAC name of (E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide (CID 69408064) is (E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide is Cn1cccc1/C=C/C(=O)NN.
What is the InChIKey of (E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide?
The InChIKey is BVKJPCOANIMZEQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11-6-2-3-7(11)4-5-8(12)10-9/h2-6H,9H2,1H3,(H,10,12)/b5-4+.
What are the key properties of (E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide?
(E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide has a molecular weight of 165.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-methylpyrrol-2-yl)prop-2-enehydrazide is sourced from PubChem (CID 69408064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).