2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one

C10H15NO2 — CID 102648479

IUPAC2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)C1=CCCCO1
InChIInChI=1S/C10H15NO2/c1-2-5-8(11)10(12)9-6-3-4-7-13-9/h2,6,8H,1,3-5,7,11H2
InChIKeyKNXLVLGLKKAKEY-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.15
Rot. Bonds4

About 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one

2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one (PubChem CID 102648479) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one
PubChem CID102648479
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one
SMILESC=CCC(N)C(=O)C1=CCCCO1
InChIInChI=1S/C10H15NO2/c1-2-5-8(11)10(12)9-6-3-4-7-13-9/h2,6,8H,1,3-5,7,11H2
InChIKeyKNXLVLGLKKAKEY-UHFFFAOYSA-N
XLogP1.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 84020972
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648272
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648292
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648297
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one
CID 102648339
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648398
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-5-methoxypentan-1-one
CID 102648431
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-yn-1-one
CID 102648478
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3,3-dimethylbutan-1-one
CID 102648493
2-Amino-1-(2,3-dihydrofuran-5-yl)-3-methylbutan-1-one
CID 102652395
2-Amino-1-(2,3-dihydrofuran-5-yl)pentan-1-one
CID 102652416
2-Amino-1-(2,3-dihydrofuran-5-yl)-4-methoxybutan-1-one
CID 102652462

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one?
The IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one (CID 102648479) is 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one?
The canonical SMILES for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one is C=CCC(N)C(=O)C1=CCCCO1.
What is the InChIKey of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one?
The InChIKey is KNXLVLGLKKAKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-5-8(11)10(12)9-6-3-4-7-13-9/h2,6,8H,1,3-5,7,11H2.
What are the key properties of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one?
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one has a molecular weight of 181.23 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pent-4-en-1-one is sourced from PubChem (CID 102648479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).