3-(3H-furan-2-ylidene)prop-1-en-1-amine

C7H9NO — CID 86737848

IUPAC3-(3H-furan-2-ylidene)prop-1-en-1-amine
SMILESNC=CC=C1CC=CO1
InChIInChI=1S/C7H9NO/c8-5-1-3-7-4-2-6-9-7/h1-3,5-6H,4,8H2
InChIKeyIPEZOBIIIPXWQU-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.28
Rot. Bonds1

About 3-(3H-furan-2-ylidene)prop-1-en-1-amine

3-(3H-furan-2-ylidene)prop-1-en-1-amine (PubChem CID 86737848) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-(3H-furan-2-ylidene)prop-1-en-1-amine.

Molecular Properties

Compound Name3-(3H-furan-2-ylidene)prop-1-en-1-amine
PubChem CID86737848
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-(3H-furan-2-ylidene)prop-1-en-1-amine
SMILESNC=CC=C1CC=CO1
InChIInChI=1S/C7H9NO/c8-5-1-3-7-4-2-6-9-7/h1-3,5-6H,4,8H2
InChIKeyIPEZOBIIIPXWQU-UHFFFAOYSA-N
XLogP1.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-yloxyhexa-1,3-dien-1-amine
CID 129317621
(1E,3Z)-3-methoxyhexa-1,3-dien-1-amine
CID 89282119

Frequently Asked Questions

What is the IUPAC name of 3-(3H-furan-2-ylidene)prop-1-en-1-amine?
The IUPAC name of 3-(3H-furan-2-ylidene)prop-1-en-1-amine (CID 86737848) is 3-(3H-furan-2-ylidene)prop-1-en-1-amine.
What is the SMILES notation for 3-(3H-furan-2-ylidene)prop-1-en-1-amine?
The canonical SMILES for 3-(3H-furan-2-ylidene)prop-1-en-1-amine is NC=CC=C1CC=CO1.
What is the InChIKey of 3-(3H-furan-2-ylidene)prop-1-en-1-amine?
The InChIKey is IPEZOBIIIPXWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c8-5-1-3-7-4-2-6-9-7/h1-3,5-6H,4,8H2.
What are the key properties of 3-(3H-furan-2-ylidene)prop-1-en-1-amine?
3-(3H-furan-2-ylidene)prop-1-en-1-amine has a molecular weight of 123.15 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-furan-2-ylidene)prop-1-en-1-amine is sourced from PubChem (CID 86737848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).