(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide

C19H20N2O3 — CID 42921726

IUPAC(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide
SMILESCC1CC1c1ccc(/C=C/C(=O)NNC(=O)Cc2ccccc2)o1
InChIInChI=1S/C19H20N2O3/c1-13-11-16(13)17-9-7-15(24-17)8-10-18(22)20-21-19(23)12-14-5-3-2-4-6-14/h2-10,13,16H,11-12H2,1H3,(H,20,22)(H,21,23)/b10-8+
InChIKeyXQZRPEIXIZPHTH-CSKARUKUSA-N
MW324.38 g/mol
LogP2.81
Rot. Bonds5

About (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide

(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide (PubChem CID 42921726) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide.

Molecular Properties

Compound Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide
PubChem CID42921726
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide
SMILESCC1CC1c1ccc(/C=C/C(=O)NNC(=O)Cc2ccccc2)o1
InChIInChI=1S/C19H20N2O3/c1-13-11-16(13)17-9-7-15(24-17)8-10-18(22)20-21-19(23)12-14-5-3-2-4-6-14/h2-10,13,16H,11-12H2,1H3,(H,20,22)(H,21,23)/b10-8+
InChIKeyXQZRPEIXIZPHTH-CSKARUKUSA-N
XLogP2.81
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.81
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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Related Compounds

2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
CID 77012974
(Z)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129421507
(E)-N-[(2-methoxyphenyl)methyl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 27017551
N-methyl-3-[[(Z)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enoyl]amino]propanamide
CID 98645041
(E)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 104927612
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
(E)-N-[(4-fluorophenyl)methyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43034838
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43237027
(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
CID 7131871
(E)-N-(3-hydroxy-2-methylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 65037410
N-(1-hydroxy-4-methylpentan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 61245613

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide?
The IUPAC name of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide (CID 42921726) is (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide?
The canonical SMILES for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide is CC1CC1c1ccc(/C=C/C(=O)NNC(=O)Cc2ccccc2)o1.
What is the InChIKey of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide?
The InChIKey is XQZRPEIXIZPHTH-CSKARUKUSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-11-16(13)17-9-7-15(24-17)8-10-18(22)20-21-19(23)12-14-5-3-2-4-6-14/h2-10,13,16H,11-12H2,1H3,(H,20,22)(H,21,23)/b10-8+.
What are the key properties of (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide?
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide has a molecular weight of 324.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(2-methylcyclopropyl)furan-2-yl]-N'-(2-phenylacetyl)prop-2-enehydrazide is sourced from PubChem (CID 42921726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).