(3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone

C16H25NO — CID 128525783

IUPAC(3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone
SMILESCC1(C(=O)N2CC(C3CCCC3)C2)CC2CC2C1
InChIInChI=1S/C16H25NO/c1-16(7-12-6-13(12)8-16)15(18)17-9-14(10-17)11-4-2-3-5-11/h11-14H,2-10H2,1H3
InChIKeyYWQADHBDHJLTTJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.07
Rot. Bonds2

About (3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone

(3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone (PubChem CID 128525783) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone.

Molecular Properties

Compound Name(3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone
PubChem CID128525783
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone
SMILESCC1(C(=O)N2CC(C3CCCC3)C2)CC2CC2C1
InChIInChI=1S/C16H25NO/c1-16(7-12-6-13(12)8-16)15(18)17-9-14(10-17)11-4-2-3-5-11/h11-14H,2-10H2,1H3
InChIKeyYWQADHBDHJLTTJ-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone?
The IUPAC name of (3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone (CID 128525783) is (3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone.
What is the SMILES notation for (3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone?
The canonical SMILES for (3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone is CC1(C(=O)N2CC(C3CCCC3)C2)CC2CC2C1.
What is the InChIKey of (3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone?
The InChIKey is YWQADHBDHJLTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(7-12-6-13(12)8-16)15(18)17-9-14(10-17)11-4-2-3-5-11/h11-14H,2-10H2,1H3.
What are the key properties of (3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone?
(3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone has a molecular weight of 247.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentylazetidin-1-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanone is sourced from PubChem (CID 128525783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).