(3R)-3-(aminomethyl)-2,3-dihydropyran-6-one

C6H9NO2 — CID 148524434

IUPAC(3R)-3-(aminomethyl)-2,3-dihydropyran-6-one
SMILESNC[C@H]1C=CC(=O)OC1
InChIInChI=1S/C6H9NO2/c7-3-5-1-2-6(8)9-4-5/h1-2,5H,3-4,7H2/t5-/m1/s1
InChIKeyMPBACNZVOLSPIP-RXMQYKEDSA-N
MW127.14 g/mol
LogP-0.33
Rot. Bonds1

About (3R)-3-(aminomethyl)-2,3-dihydropyran-6-one

(3R)-3-(aminomethyl)-2,3-dihydropyran-6-one (PubChem CID 148524434) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-2,3-dihydropyran-6-one
PubChem CID148524434
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(3R)-3-(aminomethyl)-2,3-dihydropyran-6-one
SMILESNC[C@H]1C=CC(=O)OC1
InChIInChI=1S/C6H9NO2/c7-3-5-1-2-6(8)9-4-5/h1-2,5H,3-4,7H2/t5-/m1/s1
InChIKeyMPBACNZVOLSPIP-RXMQYKEDSA-N
XLogP-0.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-6-oxo-2,3-dihydropyran-3-yl]acetic acid
CID 149222852
3-hexyl-2,3-dihydropyran-6-one
CID 134890393
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 134890514
3-butan-2-yl-2,3-dihydropyran-6-one
CID 123659399
methyl 3-(aminomethyl)-2,3-dihydrofuran-5-carboxylate
CID 130980013
3-tert-butyl-2,3-dihydropyran-6-one
CID 162773146
3-ethynyl-2,3-dihydropyran-6-one
CID 89442225
(4-methylidenecyclohex-2-en-1-yl)methanamine
CID 91001190
4-(aminomethyl)-1,3-dioxolan-2-one
CID 22011126
(8Z)-3,4,4-trichloro-3,5-dihydro-2H-1,6-dioxecine-7,10-dione
CID 154411642
4-(aminomethyl)oxolan-2-one;hydrochloride
CID 14761838
(1S)-1-[(4aR,8aS)-2,3,4a,8a-tetrahydro-1,4-benzodioxin-6-yl]-2-aminoethanol
CID 7144945

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-2,3-dihydropyran-6-one?
The IUPAC name of (3R)-3-(aminomethyl)-2,3-dihydropyran-6-one (CID 148524434) is (3R)-3-(aminomethyl)-2,3-dihydropyran-6-one.
What is the SMILES notation for (3R)-3-(aminomethyl)-2,3-dihydropyran-6-one?
The canonical SMILES for (3R)-3-(aminomethyl)-2,3-dihydropyran-6-one is NC[C@H]1C=CC(=O)OC1.
What is the InChIKey of (3R)-3-(aminomethyl)-2,3-dihydropyran-6-one?
The InChIKey is MPBACNZVOLSPIP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9NO2/c7-3-5-1-2-6(8)9-4-5/h1-2,5H,3-4,7H2/t5-/m1/s1.
What are the key properties of (3R)-3-(aminomethyl)-2,3-dihydropyran-6-one?
(3R)-3-(aminomethyl)-2,3-dihydropyran-6-one has a molecular weight of 127.14 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 148524434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).