N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide

C14H18N2O3 — CID 832648

IUPACN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C14H18N2O3/c1-9-12(4-5-19-9)13(18)16-15-10-6-11(17)8-14(2,3)7-10/h4-6,15H,7-8H2,1-3H3,(H,16,18)
InChIKeyPOJOOMQWSOUDDP-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.10
Rot. Bonds3

About N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide

N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide (PubChem CID 832648) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide
PubChem CID832648
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC1=CC(=O)CC(C)(C)C1
InChIInChI=1S/C14H18N2O3/c1-9-12(4-5-19-9)13(18)16-15-10-6-11(17)8-14(2,3)7-10/h4-6,15H,7-8H2,1-3H3,(H,16,18)
InChIKeyPOJOOMQWSOUDDP-UHFFFAOYSA-N
XLogP2.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide (CID 832648) is N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC1=CC(=O)CC(C)(C)C1.
What is the InChIKey of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide?
The InChIKey is POJOOMQWSOUDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-12(4-5-19-9)13(18)16-15-10-6-11(17)8-14(2,3)7-10/h4-6,15H,7-8H2,1-3H3,(H,16,18).
What are the key properties of N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide?
N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide has a molecular weight of 262.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,5-dimethyl-3-oxocyclohexen-1-yl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 832648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).