7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane

C12H17NO2 — CID 142969705

IUPAC7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane
SMILESCC1C=CC=c2[nH]c(=O)oc2=C1.CCC
InChIInChI=1S/C9H9NO2.C3H8/c1-6-3-2-4-7-8(5-6)12-9(11)10-7;1-3-2/h2-6H,1H3,(H,10,11);3H2,1-2H3
InChIKeyHLDZAWVNHAEQKN-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.15
Rot. Bonds

About 7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane

7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane (PubChem CID 142969705) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane.

Molecular Properties

Compound Name7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane
PubChem CID142969705
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane
SMILESCC1C=CC=c2[nH]c(=O)oc2=C1.CCC
InChIInChI=1S/C9H9NO2.C3H8/c1-6-3-2-4-7-8(5-6)12-9(11)10-7;1-3-2/h2-6H,1H3,(H,10,11);3H2,1-2H3
InChIKeyHLDZAWVNHAEQKN-UHFFFAOYSA-N
XLogP1.15
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane?
The IUPAC name of 7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane (CID 142969705) is 7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane.
What is the SMILES notation for 7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane?
The canonical SMILES for 7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane is CC1C=CC=c2[nH]c(=O)oc2=C1.CCC.
What is the InChIKey of 7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane?
The InChIKey is HLDZAWVNHAEQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C3H8/c1-6-3-2-4-7-8(5-6)12-9(11)10-7;1-3-2/h2-6H,1H3,(H,10,11);3H2,1-2H3.
What are the key properties of 7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane?
7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane has a molecular weight of 207.27 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,7-dihydrocyclohepta[d][1,3]oxazol-2-one;propane is sourced from PubChem (CID 142969705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).