(1Z)-1-butylidene-3-methylidene-2-benzofuran

C13H14O — CID 130350798

IUPAC(1Z)-1-butylidene-3-methylidene-2-benzofuran
SMILESC=c1o/c(=C\CCC)c2ccccc12
InChIInChI=1S/C13H14O/c1-3-4-9-13-12-8-6-5-7-11(12)10(2)14-13/h5-9H,2-4H2,1H3/b13-9-
InChIKeyHNNSVBOEMQKLFL-LCYFTJDESA-N
MW186.25 g/mol
LogP2.42
Rot. Bonds2

About (1Z)-1-butylidene-3-methylidene-2-benzofuran

(1Z)-1-butylidene-3-methylidene-2-benzofuran (PubChem CID 130350798) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (1Z)-1-butylidene-3-methylidene-2-benzofuran.

Molecular Properties

Compound Name(1Z)-1-butylidene-3-methylidene-2-benzofuran
PubChem CID130350798
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(1Z)-1-butylidene-3-methylidene-2-benzofuran
SMILESC=c1o/c(=C\CCC)c2ccccc12
InChIInChI=1S/C13H14O/c1-3-4-9-13-12-8-6-5-7-11(12)10(2)14-13/h5-9H,2-4H2,1H3/b13-9-
InChIKeyHNNSVBOEMQKLFL-LCYFTJDESA-N
XLogP2.42
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-butylidene-3-methylidene-2-benzofuran?
The IUPAC name of (1Z)-1-butylidene-3-methylidene-2-benzofuran (CID 130350798) is (1Z)-1-butylidene-3-methylidene-2-benzofuran.
What is the SMILES notation for (1Z)-1-butylidene-3-methylidene-2-benzofuran?
The canonical SMILES for (1Z)-1-butylidene-3-methylidene-2-benzofuran is C=c1o/c(=C\CCC)c2ccccc12.
What is the InChIKey of (1Z)-1-butylidene-3-methylidene-2-benzofuran?
The InChIKey is HNNSVBOEMQKLFL-LCYFTJDESA-N. The full InChI is InChI=1S/C13H14O/c1-3-4-9-13-12-8-6-5-7-11(12)10(2)14-13/h5-9H,2-4H2,1H3/b13-9-.
What are the key properties of (1Z)-1-butylidene-3-methylidene-2-benzofuran?
(1Z)-1-butylidene-3-methylidene-2-benzofuran has a molecular weight of 186.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-butylidene-3-methylidene-2-benzofuran is sourced from PubChem (CID 130350798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).