2-(cyclopropylmethyl)-3-methylfuran

C9H12O — CID 54330779

IUPAC2-(cyclopropylmethyl)-3-methylfuran
SMILESCc1ccoc1CC1CC1
InChIInChI=1S/C9H12O/c1-7-4-5-10-9(7)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeySWOBECIUOOLCOE-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.54
Rot. Bonds2

About 2-(cyclopropylmethyl)-3-methylfuran

2-(cyclopropylmethyl)-3-methylfuran (PubChem CID 54330779) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-3-methylfuran.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-3-methylfuran
PubChem CID54330779
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-(cyclopropylmethyl)-3-methylfuran
SMILESCc1ccoc1CC1CC1
InChIInChI=1S/C9H12O/c1-7-4-5-10-9(7)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3
InChIKeySWOBECIUOOLCOE-UHFFFAOYSA-N
XLogP2.54
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-3-methylfuran?
The IUPAC name of 2-(cyclopropylmethyl)-3-methylfuran (CID 54330779) is 2-(cyclopropylmethyl)-3-methylfuran.
What is the SMILES notation for 2-(cyclopropylmethyl)-3-methylfuran?
The canonical SMILES for 2-(cyclopropylmethyl)-3-methylfuran is Cc1ccoc1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-3-methylfuran?
The InChIKey is SWOBECIUOOLCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-7-4-5-10-9(7)6-8-2-3-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-3-methylfuran?
2-(cyclopropylmethyl)-3-methylfuran has a molecular weight of 136.19 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-3-methylfuran is sourced from PubChem (CID 54330779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).