1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide

C8H11N3O — CID 116844165

IUPAC1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccc[nH]2)CC1
InChIInChI=1S/C8H11N3O/c9-11-7(12)8(3-4-8)6-2-1-5-10-6/h1-2,5,10H,3-4,9H2,(H,11,12)
InChIKeyRAJSNHUWTCVDRM-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.04
Rot. Bonds2

About 1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide

1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide (PubChem CID 116844165) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide
PubChem CID116844165
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide
SMILESNNC(=O)C1(c2ccc[nH]2)CC1
InChIInChI=1S/C8H11N3O/c9-11-7(12)8(3-4-8)6-2-1-5-10-6/h1-2,5,10H,3-4,9H2,(H,11,12)
InChIKeyRAJSNHUWTCVDRM-UHFFFAOYSA-N
XLogP0.04
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide?
The IUPAC name of 1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide (CID 116844165) is 1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide.
What is the SMILES notation for 1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide?
The canonical SMILES for 1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide is NNC(=O)C1(c2ccc[nH]2)CC1.
What is the InChIKey of 1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide?
The InChIKey is RAJSNHUWTCVDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-11-7(12)8(3-4-8)6-2-1-5-10-6/h1-2,5,10H,3-4,9H2,(H,11,12).
What are the key properties of 1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide?
1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide has a molecular weight of 165.20 g/mol, XLogP of 0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-2-yl)cyclopropane-1-carbohydrazide is sourced from PubChem (CID 116844165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).