3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine

C8H13NO — CID 79324198

IUPAC3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine
SMILESNCC=CC1CCC=CO1
InChIInChI=1S/C8H13NO/c9-6-3-5-8-4-1-2-7-10-8/h2-3,5,7-8H,1,4,6,9H2
InChIKeyCNKVDRMERQFGBO-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.19
Rot. Bonds2

About 3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine

3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine (PubChem CID 79324198) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine
PubChem CID79324198
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine
SMILESNCC=CC1CCC=CO1
InChIInChI=1S/C8H13NO/c9-6-3-5-8-4-1-2-7-10-8/h2-3,5,7-8H,1,4,6,9H2
InChIKeyCNKVDRMERQFGBO-UHFFFAOYSA-N
XLogP1.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine (CID 79324198) is 3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine is NCC=CC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine?
The InChIKey is CNKVDRMERQFGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c9-6-3-5-8-4-1-2-7-10-8/h2-3,5,7-8H,1,4,6,9H2.
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine?
3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 79324198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).