N-prop-2-enylfuran-2-amine

C7H9NO — CID 67975741

IUPACN-prop-2-enylfuran-2-amine
SMILESC=CCNc1ccco1
InChIInChI=1S/C7H9NO/c1-2-5-8-7-4-3-6-9-7/h2-4,6,8H,1,5H2
InChIKeyXURXJHMWRSNIHR-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.88
Rot. Bonds3

About N-prop-2-enylfuran-2-amine

N-prop-2-enylfuran-2-amine (PubChem CID 67975741) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is N-prop-2-enylfuran-2-amine.

Molecular Properties

Compound NameN-prop-2-enylfuran-2-amine
PubChem CID67975741
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC NameN-prop-2-enylfuran-2-amine
SMILESC=CCNc1ccco1
InChIInChI=1S/C7H9NO/c1-2-5-8-7-4-3-6-9-7/h2-4,6,8H,1,5H2
InChIKeyXURXJHMWRSNIHR-UHFFFAOYSA-N
XLogP1.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.88
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 N-prop-2-enylfuran-2-amine?
The IUPAC name of N-prop-2-enylfuran-2-amine (CID 67975741) is N-prop-2-enylfuran-2-amine.
What is the SMILES notation for N-prop-2-enylfuran-2-amine?
The canonical SMILES for N-prop-2-enylfuran-2-amine is C=CCNc1ccco1.
What is the InChIKey of N-prop-2-enylfuran-2-amine?
The InChIKey is XURXJHMWRSNIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-5-8-7-4-3-6-9-7/h2-4,6,8H,1,5H2.
What are the key properties of N-prop-2-enylfuran-2-amine?
N-prop-2-enylfuran-2-amine has a molecular weight of 123.15 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylfuran-2-amine is sourced from PubChem (CID 67975741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).