3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen

C10H15NO2 — CID 144349056

IUPAC3,6-dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen
SMILES[HH].CC.C1C=CC2=C(C=C1)OC(=O)N2
InChIInChI=1S/C8H7NO2.C2H6.H2/c10-8-9-6-4-2-1-3-5-7(6)11-8;1-2;/h2-5H,1H2,(H,9,10);1-2H3;1H
InChIKeyZHVYFIDDPOWKGP-UHFFFAOYSA-N
MW181.23 g/mol
LogP—
Rot. Bonds

About 3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen

3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen (PubChem CID 144349056) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3,6-dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen.

Molecular Properties

Compound Name3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen
PubChem CID144349056
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3,6-dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen
SMILES[HH].CC.C1C=CC2=C(C=C1)OC(=O)N2
InChIInChI=1S/C8H7NO2.C2H6.H2/c10-8-9-6-4-2-1-3-5-7(6)11-8;1-2;/h2-5H,1H2,(H,9,10);1-2H3;1H
InChIKeyZHVYFIDDPOWKGP-UHFFFAOYSA-N
XLogP—
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity286

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenyl-5-prop-2-enyl-3H-1,3-oxazol-2-one
CID 70506048
3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one
CID 91200506
6,6-dimethyl-3H-cyclohepta[d][1,3]oxazol-2-one
CID 91201490
3-methyl-6H-cyclohepta[d][1,3]oxazol-2-one
CID 123382803
(3,3-dimethylcyclohepta-1,4,6-trien-1-yl) N-(6-ethenylcyclododeca-1,3,5,7,9,11-hexaen-1-yl)carbamate
CID 123555223
5-buta-1,3-dienyl-4-methyl-3H-1,3-oxazol-2-one
CID 123826590
4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
CID 129180584
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-3H-1,3-oxazol-2-one
CID 129299830
methyl N-(2-methyl-2H-pyran-4-yl)carbamate
CID 140330365
Ethane;6-methyl-3,8-dihydrocyclohepta[d][1,3]oxazol-2-one
CID 141871373
ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
CID 141897540
4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane
CID 142057788

Frequently Asked Questions

What is the IUPAC name of 3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen?
The IUPAC name of 3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen (CID 144349056) is 3,6-dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen.
What is the SMILES notation for 3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen?
The canonical SMILES for 3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen is [HH].CC.C1C=CC2=C(C=C1)OC(=O)N2.
What is the InChIKey of 3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen?
The InChIKey is ZHVYFIDDPOWKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2.C2H6.H2/c10-8-9-6-4-2-1-3-5-7(6)11-8;1-2;/h2-5H,1H2,(H,9,10);1-2H3;1H.
What are the key properties of 3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen?
3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen has a molecular weight of 181.23 g/mol, XLogP of not available, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-Dihydrocyclohepta[d][1,3]oxazol-2-one;ethane;molecular hydrogen is sourced from PubChem (CID 144349056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).