(Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine

C9H13NO — CID 117265852

IUPAC(Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine
SMILESCNC/C=C\Cc1ccco1
InChIInChI=1S/C9H13NO/c1-10-7-3-2-5-9-6-4-8-11-9/h2-4,6,8,10H,5,7H2,1H3/b3-2-
InChIKeyWHLJIIPLKWXNDW-IHWYPQMZSA-N
MW151.21 g/mol
LogP1.60
Rot. Bonds4

About (Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine

(Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine (PubChem CID 117265852) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine
PubChem CID117265852
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine
SMILESCNC/C=C\Cc1ccco1
InChIInChI=1S/C9H13NO/c1-10-7-3-2-5-9-6-4-8-11-9/h2-4,6,8,10H,5,7H2,1H3/b3-2-
InChIKeyWHLJIIPLKWXNDW-IHWYPQMZSA-N
XLogP1.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine?
The IUPAC name of (Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine (CID 117265852) is (Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine.
What is the SMILES notation for (Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine?
The canonical SMILES for (Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine is CNC/C=C\Cc1ccco1.
What is the InChIKey of (Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine?
The InChIKey is WHLJIIPLKWXNDW-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H13NO/c1-10-7-3-2-5-9-6-4-8-11-9/h2-4,6,8,10H,5,7H2,1H3/b3-2-.
What are the key properties of (Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine?
(Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine is sourced from PubChem (CID 117265852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).