(1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide

C14H17N3O3 — CID 98215452

IUPAC(1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C14H17N3O3/c18-14(13-11-3-1-2-4-12(11)13)16-15-9-5-7-10(8-6-9)17(19)20/h5-8,11-13,15H,1-4H2,(H,16,18)/t11-,12-/m1/s1
InChIKeyPSMOGSNQNUFBEU-VXGBXAGGSA-N
MW275.31 g/mol
LogP2.47
Rot. Bonds4

About (1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide

(1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide (PubChem CID 98215452) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide.

Molecular Properties

Compound Name(1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide
PubChem CID98215452
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide
SMILESO=C(NNc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CCCC[C@@H]12
InChIInChI=1S/C14H17N3O3/c18-14(13-11-3-1-2-4-12(11)13)16-15-9-5-7-10(8-6-9)17(19)20/h5-8,11-13,15H,1-4H2,(H,16,18)/t11-,12-/m1/s1
InChIKeyPSMOGSNQNUFBEU-VXGBXAGGSA-N
XLogP2.47
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide?
The IUPAC name of (1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide (CID 98215452) is (1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide.
What is the SMILES notation for (1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide?
The canonical SMILES for (1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide is O=C(NNc1ccc([N+](=O)[O-])cc1)C1[C@@H]2CCCC[C@@H]12.
What is the InChIKey of (1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide?
The InChIKey is PSMOGSNQNUFBEU-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17N3O3/c18-14(13-11-3-1-2-4-12(11)13)16-15-9-5-7-10(8-6-9)17(19)20/h5-8,11-13,15H,1-4H2,(H,16,18)/t11-,12-/m1/s1.
What are the key properties of (1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide?
(1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide has a molecular weight of 275.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-N'-(4-nitrophenyl)bicyclo[4.1.0]heptane-7-carbohydrazide is sourced from PubChem (CID 98215452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).