(6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine

C11H17NO — CID 123806812

IUPAC(6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine
SMILESC=CC1=C(C=CC)CC(CN)CO1
InChIInChI=1S/C11H17NO/c1-3-5-10-6-9(7-12)8-13-11(10)4-2/h3-5,9H,2,6-8,12H2,1H3
InChIKeyIPGZKOSWIVSCCD-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.00
Rot. Bonds3

About (6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine

(6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine (PubChem CID 123806812) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine.

Molecular Properties

Compound Name(6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine
PubChem CID123806812
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine
SMILESC=CC1=C(C=CC)CC(CN)CO1
InChIInChI=1S/C11H17NO/c1-3-5-10-6-9(7-12)8-13-11(10)4-2/h3-5,9H,2,6-8,12H2,1H3
InChIKeyIPGZKOSWIVSCCD-UHFFFAOYSA-N
XLogP2.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine?
The IUPAC name of (6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine (CID 123806812) is (6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine.
What is the SMILES notation for (6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine?
The canonical SMILES for (6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine is C=CC1=C(C=CC)CC(CN)CO1.
What is the InChIKey of (6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine?
The InChIKey is IPGZKOSWIVSCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-10-6-9(7-12)8-13-11(10)4-2/h3-5,9H,2,6-8,12H2,1H3.
What are the key properties of (6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine?
(6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine has a molecular weight of 179.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-5-prop-1-enyl-3,4-dihydro-2H-pyran-3-yl)methanamine is sourced from PubChem (CID 123806812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).