4-prop-2-enylchromen-2-one

C12H10O2 — CID 87576645

IUPAC4-prop-2-enylchromen-2-one
SMILESC=CCc1cc(=O)oc2ccccc12
InChIInChI=1S/C12H10O2/c1-2-5-9-8-12(13)14-11-7-4-3-6-10(9)11/h2-4,6-8H,1,5H2
InChIKeyLVMYWLOONIGNAC-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.52
Rot. Bonds2

About 4-prop-2-enylchromen-2-one

4-prop-2-enylchromen-2-one (PubChem CID 87576645) has the molecular formula C12H10O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-prop-2-enylchromen-2-one.

Molecular Properties

Compound Name4-prop-2-enylchromen-2-one
PubChem CID87576645
Molecular FormulaC12H10O2
Molecular Weight186.21 g/mol
Exact Mass186.07
IUPAC Name4-prop-2-enylchromen-2-one
SMILESC=CCc1cc(=O)oc2ccccc12
InChIInChI=1S/C12H10O2/c1-2-5-9-8-12(13)14-11-7-4-3-6-10(9)11/h2-4,6-8H,1,5H2
InChIKeyLVMYWLOONIGNAC-UHFFFAOYSA-N
XLogP2.52
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-prop-2-enylxanthen-9-one
CID 19102968
(2-oxochromen-4-yl)methylphosphonic acid
CID 138756323
ethyl 2-[(2-oxochromen-4-yl)methyl]prop-2-enoate
CID 14870004
phenol;4-(phenoxymethyl)chromen-2-one
CID 158794663
4-hydroxy-3-prop-2-enylchromen-2-one
CID 54710499
(2-oxochromen-4-yl)methyl 2-methylbutanoate
CID 170264587
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
3-prop-2-enyldibenzofuran-4-ol
CID 59860896
4-ethoxychromen-2-one
CID 688703
4-prop-2-enyl-1H-quinolin-2-one
CID 66696786
4-but-3-enoxy-3-prop-2-enylchromen-2-one
CID 11230601
4-[(E)-but-2-enoxy]chromen-2-one
CID 14904180

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylchromen-2-one?
The IUPAC name of 4-prop-2-enylchromen-2-one (CID 87576645) is 4-prop-2-enylchromen-2-one.
What is the SMILES notation for 4-prop-2-enylchromen-2-one?
The canonical SMILES for 4-prop-2-enylchromen-2-one is C=CCc1cc(=O)oc2ccccc12.
What is the InChIKey of 4-prop-2-enylchromen-2-one?
The InChIKey is LVMYWLOONIGNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2/c1-2-5-9-8-12(13)14-11-7-4-3-6-10(9)11/h2-4,6-8H,1,5H2.
What are the key properties of 4-prop-2-enylchromen-2-one?
4-prop-2-enylchromen-2-one has a molecular weight of 186.21 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylchromen-2-one is sourced from PubChem (CID 87576645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).