[4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane

C12H20BrNO — CID 171496799

IUPAC[4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane
SMILESC=CC1=C(C(=C)Br)CCOC1CN.CC
InChIInChI=1S/C10H14BrNO.C2H6/c1-3-8-9(7(2)11)4-5-13-10(8)6-12;1-2/h3,10H,1-2,4-6,12H2;1-2H3
InChIKeyFDGSDNAKMHOELP-UHFFFAOYSA-N
MW274.20 g/mol
LogP3.15
Rot. Bonds3

About [4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane

[4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane (PubChem CID 171496799) has the molecular formula C12H20BrNO and a molecular weight of 274.20 g/mol. Its IUPAC name is [4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane.

Molecular Properties

Compound Name[4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane
PubChem CID171496799
Molecular FormulaC12H20BrNO
Molecular Weight274.20 g/mol
Exact Mass273.07
IUPAC Name[4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane
SMILESC=CC1=C(C(=C)Br)CCOC1CN.CC
InChIInChI=1S/C10H14BrNO.C2H6/c1-3-8-9(7(2)11)4-5-13-10(8)6-12;1-2/h3,10H,1-2,4-6,12H2;1-2H3
InChIKeyFDGSDNAKMHOELP-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4R)-1,3-dimethyl-6,7-dihydro-4H-thieno[3,4-c]pyran-4-yl]methanamine
CID 97102895
3-(1-bromoethenyl)-4-ethenyl-1,2,5,6-tetrahydroazepin-7-one
CID 162737376
3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen
CID 143680289
(5-bromo-3,4-dihydro-1H-isochromen-1-yl)methanamine
CID 130978437
(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
CID 67257030
ethyl (2E)-2-(2-prop-2-enyloxan-3-ylidene)acetate
CID 15416620
5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine
CID 123877582
5-ethenyl-4-prop-1-en-2-yl-3,6-dihydro-2H-pyran
CID 142279330
(3-methoxy-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)methanamine
CID 129016080
6-(aminomethyl)-5-ethenyl-6-methyl-2,3-dihydropyran-4-thiol
CID 142603340
[(1R)-5-pyridazin-4-yl-3,4-dihydro-1H-isochromen-1-yl]methanamine;hydrochloride
CID 137460707
ethene;2-ethenyl-3-methylcyclopent-2-en-1-amine
CID 142463301

Frequently Asked Questions

What is the IUPAC name of [4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane?
The IUPAC name of [4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane (CID 171496799) is [4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane.
What is the SMILES notation for [4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane?
The canonical SMILES for [4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane is C=CC1=C(C(=C)Br)CCOC1CN.CC.
What is the InChIKey of [4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane?
The InChIKey is FDGSDNAKMHOELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO.C2H6/c1-3-8-9(7(2)11)4-5-13-10(8)6-12;1-2/h3,10H,1-2,4-6,12H2;1-2H3.
What are the key properties of [4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane?
[4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane has a molecular weight of 274.20 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane is sourced from PubChem (CID 171496799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).