N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine

C9H12N2O — CID 71536568

IUPACN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C/C=C/c1ccco1
InChIInChI=1S/C9H12N2O/c1-11(2)10-7-3-5-9-6-4-8-12-9/h3-8H,1-2H3/b5-3+,10-7+
InChIKeyGOELWBIMSYPYHU-RVAGFXNCSA-N
MW164.21 g/mol
LogP1.84
Rot. Bonds3

About N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine

N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine (PubChem CID 71536568) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine
PubChem CID71536568
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine
SMILESCN(C)/N=C/C=C/c1ccco1
InChIInChI=1S/C9H12N2O/c1-11(2)10-7-3-5-9-6-4-8-12-9/h3-8H,1-2H3/b5-3+,10-7+
InChIKeyGOELWBIMSYPYHU-RVAGFXNCSA-N
XLogP1.84
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_ene_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_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)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine (CID 71536568) is N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine is CN(C)/N=C/C=C/c1ccco1.
What is the InChIKey of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine?
The InChIKey is GOELWBIMSYPYHU-RVAGFXNCSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11(2)10-7-3-5-9-6-4-8-12-9/h3-8H,1-2H3/b5-3+,10-7+.
What are the key properties of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine?
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine has a molecular weight of 164.21 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 71536568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).