1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one

C13H14FNO — CID 135062760

IUPAC1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one
SMILESCCC(=O)N1c2cc(F)ccc2C2CC21C
InChIInChI=1S/C13H14FNO/c1-3-12(16)15-11-6-8(14)4-5-9(11)10-7-13(10,15)2/h4-6,10H,3,7H2,1-2H3
InChIKeyOMTVBMQQAPBSLI-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.83
Rot. Bonds1

About 1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one

1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one (PubChem CID 135062760) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one
PubChem CID135062760
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one
SMILESCCC(=O)N1c2cc(F)ccc2C2CC21C
InChIInChI=1S/C13H14FNO/c1-3-12(16)15-11-6-8(14)4-5-9(11)10-7-13(10,15)2/h4-6,10H,3,7H2,1-2H3
InChIKeyOMTVBMQQAPBSLI-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one?
The IUPAC name of 1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one (CID 135062760) is 1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one?
The canonical SMILES for 1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one is CCC(=O)N1c2cc(F)ccc2C2CC21C.
What is the InChIKey of 1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one?
The InChIKey is OMTVBMQQAPBSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-3-12(16)15-11-6-8(14)4-5-9(11)10-7-13(10,15)2/h4-6,10H,3,7H2,1-2H3.
What are the key properties of 1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one?
1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one has a molecular weight of 219.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1a-methyl-1,6b-dihydrocyclopropa[b]indol-2-yl)propan-1-one is sourced from PubChem (CID 135062760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).