3-(furan-3-yl)prop-2-yn-1-amine

C7H7NO — CID 18915690

IUPAC3-(furan-3-yl)prop-2-yn-1-amine
SMILESNCC#Cc1ccoc1
InChIInChI=1S/C7H7NO/c8-4-1-2-7-3-5-9-6-7/h3,5-6H,4,8H2
InChIKeyTWRKLRKCXIUMSW-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.59
Rot. Bonds

About 3-(furan-3-yl)prop-2-yn-1-amine

3-(furan-3-yl)prop-2-yn-1-amine (PubChem CID 18915690) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 3-(furan-3-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(furan-3-yl)prop-2-yn-1-amine
PubChem CID18915690
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name3-(furan-3-yl)prop-2-yn-1-amine
SMILESNCC#Cc1ccoc1
InChIInChI=1S/C7H7NO/c8-4-1-2-7-3-5-9-6-7/h3,5-6H,4,8H2
InChIKeyTWRKLRKCXIUMSW-UHFFFAOYSA-N
XLogP0.59
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(furan-3-yl)prop-2-yn-1-amine (CID 18915690) is 3-(furan-3-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(furan-3-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(furan-3-yl)prop-2-yn-1-amine is NCC#Cc1ccoc1.
What is the InChIKey of 3-(furan-3-yl)prop-2-yn-1-amine?
The InChIKey is TWRKLRKCXIUMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c8-4-1-2-7-3-5-9-6-7/h3,5-6H,4,8H2.
What are the key properties of 3-(furan-3-yl)prop-2-yn-1-amine?
3-(furan-3-yl)prop-2-yn-1-amine has a molecular weight of 121.14 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)prop-2-yn-1-amine is sourced from PubChem (CID 18915690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).