4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine

C10H17NO — CID 142279313

IUPAC4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine
SMILESC=CC1=C(C=C)COCC1.CN
InChIInChI=1S/C9H12O.CH5N/c1-3-8-5-6-10-7-9(8)4-2;1-2/h3-4H,1-2,5-7H2;2H2,1H3
InChIKeyAXQCMBRFSIWBMJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.65
Rot. Bonds2

About 4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine

4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine (PubChem CID 142279313) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine.

Molecular Properties

Compound Name4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine
PubChem CID142279313
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine
SMILESC=CC1=C(C=C)COCC1.CN
InChIInChI=1S/C9H12O.CH5N/c1-3-8-5-6-10-7-9(8)4-2;1-2/h3-4H,1-2,5-7H2;2H2,1H3
InChIKeyAXQCMBRFSIWBMJ-UHFFFAOYSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine?
The IUPAC name of 4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine (CID 142279313) is 4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine.
What is the SMILES notation for 4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine?
The canonical SMILES for 4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine is C=CC1=C(C=C)COCC1.CN.
What is the InChIKey of 4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine?
The InChIKey is AXQCMBRFSIWBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.CH5N/c1-3-8-5-6-10-7-9(8)4-2;1-2/h3-4H,1-2,5-7H2;2H2,1H3.
What are the key properties of 4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine?
4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine has a molecular weight of 167.25 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-3,6-dihydro-2H-pyran;methanamine is sourced from PubChem (CID 142279313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).