(2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine

C10H13NO — CID 89129703

IUPAC(2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine
SMILES[H]/N=C1\C=CO\C1=C\C=C/C(C)C
InChIInChI=1S/C10H13NO/c1-8(2)4-3-5-10-9(11)6-7-12-10/h3-8,11H,1-2H3/b4-3-,10-5+,11-9+
InChIKeyDVYQRZVBOXKUBS-PUSBRHSFSA-N
MW163.22 g/mol
LogP2.65
Rot. Bonds2

About (2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine

(2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine (PubChem CID 89129703) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine.

Molecular Properties

Compound Name(2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine
PubChem CID89129703
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine
SMILES[H]/N=C1\C=CO\C1=C\C=C/C(C)C
InChIInChI=1S/C10H13NO/c1-8(2)4-3-5-10-9(11)6-7-12-10/h3-8,11H,1-2H3/b4-3-,10-5+,11-9+
InChIKeyDVYQRZVBOXKUBS-PUSBRHSFSA-N
XLogP2.65
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine?
The IUPAC name of (2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine (CID 89129703) is (2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine.
What is the SMILES notation for (2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine?
The canonical SMILES for (2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine is [H]/N=C1\C=CO\C1=C\C=C/C(C)C.
What is the InChIKey of (2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine?
The InChIKey is DVYQRZVBOXKUBS-PUSBRHSFSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(2)4-3-5-10-9(11)6-7-12-10/h3-8,11H,1-2H3/b4-3-,10-5+,11-9+.
What are the key properties of (2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine?
(2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine has a molecular weight of 163.22 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-4-methylpent-2-enylidene]furan-3-imine is sourced from PubChem (CID 89129703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).