(3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole

C10H9NO2 — CID 51860458

IUPAC(3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole
SMILESC1=NO[C@@H]2c3ccccc3OC[C@@H]12
InChIInChI=1S/C10H9NO2/c1-2-4-9-8(3-1)10-7(6-12-9)5-11-13-10/h1-5,7,10H,6H2/t7-,10+/m1/s1
InChIKeyNHFHDQMTYVLNTF-XCBNKYQSSA-N
MW175.19 g/mol
LogP1.75
Rot. Bonds

About (3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole

(3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole (PubChem CID 51860458) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is (3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole.

Molecular Properties

Compound Name(3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole
PubChem CID51860458
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name(3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole
SMILESC1=NO[C@@H]2c3ccccc3OC[C@@H]12
InChIInChI=1S/C10H9NO2/c1-2-4-9-8(3-1)10-7(6-12-9)5-11-13-10/h1-5,7,10H,6H2/t7-,10+/m1/s1
InChIKeyNHFHDQMTYVLNTF-XCBNKYQSSA-N
XLogP1.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
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CID 45088771
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
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2,3-dihydro-1-benzofuran-3-ylboronic acid
CID 66877807
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
(3S)-3-tert-butyl-2,3-dihydro-1-benzofuran
CID 129157836
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
(3aR,9bS)-3,3a,4,9b-tetrahydro-1H-cyclopenta[c]chromen-2-one
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CID 102547899

Frequently Asked Questions

What is the IUPAC name of (3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole?
The IUPAC name of (3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole (CID 51860458) is (3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole.
What is the SMILES notation for (3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole?
The canonical SMILES for (3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole is C1=NO[C@@H]2c3ccccc3OC[C@@H]12.
What is the InChIKey of (3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole?
The InChIKey is NHFHDQMTYVLNTF-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-4-9-8(3-1)10-7(6-12-9)5-11-13-10/h1-5,7,10H,6H2/t7-,10+/m1/s1.
What are the key properties of (3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole?
(3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole has a molecular weight of 175.19 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9bS)-4,9b-dihydro-3aH-chromeno[3,4-d][1,2]oxazole is sourced from PubChem (CID 51860458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).