(1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide

C8H12N2O — CID 13349682

IUPAC(1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide
SMILESNNC(=O)C1[C@H]2CC=CC[C@@H]12
InChIInChI=1S/C8H12N2O/c9-10-8(11)7-5-3-1-2-4-6(5)7/h1-2,5-7H,3-4,9H2,(H,10,11)/t5-,6+,7?
InChIKeyPXWRTTCFMMQTNJ-MEKDEQNOSA-N
MW152.20 g/mol
LogP0.19
Rot. Bonds1

About (1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide

(1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide (PubChem CID 13349682) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide.

Molecular Properties

Compound Name(1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide
PubChem CID13349682
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide
SMILESNNC(=O)C1[C@H]2CC=CC[C@@H]12
InChIInChI=1S/C8H12N2O/c9-10-8(11)7-5-3-1-2-4-6(5)7/h1-2,5-7H,3-4,9H2,(H,10,11)/t5-,6+,7?
InChIKeyPXWRTTCFMMQTNJ-MEKDEQNOSA-N
XLogP0.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide?
The IUPAC name of (1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide (CID 13349682) is (1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide.
What is the SMILES notation for (1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide?
The canonical SMILES for (1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide is NNC(=O)C1[C@H]2CC=CC[C@@H]12.
What is the InChIKey of (1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide?
The InChIKey is PXWRTTCFMMQTNJ-MEKDEQNOSA-N. The full InChI is InChI=1S/C8H12N2O/c9-10-8(11)7-5-3-1-2-4-6(5)7/h1-2,5-7H,3-4,9H2,(H,10,11)/t5-,6+,7?.
What are the key properties of (1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide?
(1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide has a molecular weight of 152.20 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-bicyclo[4.1.0]hept-3-ene-7-carbohydrazide is sourced from PubChem (CID 13349682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).