N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide

C19H24N2O3 — CID 7479481

IUPACN'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C19H24N2O3/c1-12-2-3-16(24-12)4-5-17(22)20-21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)(H,21,23)/b5-4+
InChIKeyMGOLUEAJPUPRHI-SNAWJCMRSA-N
MW328.41 g/mol
LogP2.97
Rot. Bonds3

About N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide

N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide (PubChem CID 7479481) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide
PubChem CID7479481
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide
SMILESCc1ccc(/C=C/C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)o1
InChIInChI=1S/C19H24N2O3/c1-12-2-3-16(24-12)4-5-17(22)20-21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)(H,21,23)/b5-4+
InChIKeyMGOLUEAJPUPRHI-SNAWJCMRSA-N
XLogP2.97
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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 N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide?
The IUPAC name of N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide (CID 7479481) is N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide.
What is the SMILES notation for N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide?
The canonical SMILES for N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide is Cc1ccc(/C=C/C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)o1.
What is the InChIKey of N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide?
The InChIKey is MGOLUEAJPUPRHI-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-12-2-3-16(24-12)4-5-17(22)20-21-18(23)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)(H,21,23)/b5-4+.
What are the key properties of N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide?
N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide has a molecular weight of 328.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]adamantane-1-carbohydrazide is sourced from PubChem (CID 7479481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).