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

C8H14N4O — CID 116849541

IUPAC2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide
SMILESCNNC(=O)C(N)Cc1ccc[nH]1
InChIInChI=1S/C8H14N4O/c1-10-12-8(13)7(9)5-6-3-2-4-11-6/h2-4,7,10-11H,5,9H2,1H3,(H,12,13)
InChIKeyNJMJWDJWQQEVMH-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.86
Rot. Bonds4

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

2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide (PubChem CID 116849541) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide.

Molecular Properties

Compound Name2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide
PubChem CID116849541
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide
SMILESCNNC(=O)C(N)Cc1ccc[nH]1
InChIInChI=1S/C8H14N4O/c1-10-12-8(13)7(9)5-6-3-2-4-11-6/h2-4,7,10-11H,5,9H2,1H3,(H,12,13)
InChIKeyNJMJWDJWQQEVMH-UHFFFAOYSA-N
XLogP-0.86
TPSA82.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-oxo-4-[2-(1H-pyrrol-2-yl)ethylamino]butanoic acid
CID 115181331
2-methyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110374909
2-amino-4-oxo-4-(1H-pyrrol-2-ylmethylamino)butanoic acid
CID 115181073
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 115156710
2-amino-N'-methyl-3-(2-oxo-3H-1,3-benzoxazol-6-yl)propanehydrazide
CID 116849572
methyl 2-[2-(1H-pyrrol-2-ylmethoxy)phenyl]acetate
CID 117054272
tert-butyl N-[1-amino-3-(1H-pyrrol-2-yl)propan-2-yl]-N-methylcarbamate
CID 116861058
2-amino-3-(2-methoxy-5-propan-2-ylphenyl)-N'-methylpropanehydrazide
CID 116849515
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid
CID 22326309
ethyl N-(1H-pyrrol-2-ylmethyl)carbamate
CID 110374915
2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid
CID 55273449

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide?
The IUPAC name of 2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide (CID 116849541) is 2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide.
What is the SMILES notation for 2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide?
The canonical SMILES for 2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide is CNNC(=O)C(N)Cc1ccc[nH]1.
What is the InChIKey of 2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide?
The InChIKey is NJMJWDJWQQEVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-10-12-8(13)7(9)5-6-3-2-4-11-6/h2-4,7,10-11H,5,9H2,1H3,(H,12,13).
What are the key properties of 2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide?
2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide has a molecular weight of 182.23 g/mol, XLogP of -0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-methyl-3-(1H-pyrrol-2-yl)propanehydrazide is sourced from PubChem (CID 116849541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).