[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone

C13H22N2O — CID 174287018

IUPAC[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)[C@H]2CCN(CC3CC3)C2)C1
InChIInChI=1S/C13H22N2O/c1-10-6-15(7-10)13(16)12-4-5-14(9-12)8-11-2-3-11/h10-12H,2-9H2,1H3/t12-/m0/s1
InChIKeyVXRFKVHBJPEBIW-LBPRGKRZSA-N
MW222.33 g/mol
LogP1.20
Rot. Bonds3

About [(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone

[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone (PubChem CID 174287018) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone
PubChem CID174287018
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)[C@H]2CCN(CC3CC3)C2)C1
InChIInChI=1S/C13H22N2O/c1-10-6-15(7-10)13(16)12-4-5-14(9-12)8-11-2-3-11/h10-12H,2-9H2,1H3/t12-/m0/s1
InChIKeyVXRFKVHBJPEBIW-LBPRGKRZSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone?
The IUPAC name of [(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone (CID 174287018) is [(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for [(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for [(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone is CC1CN(C(=O)[C@H]2CCN(CC3CC3)C2)C1.
What is the InChIKey of [(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone?
The InChIKey is VXRFKVHBJPEBIW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-6-15(7-10)13(16)12-4-5-14(9-12)8-11-2-3-11/h10-12H,2-9H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone?
[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 174287018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).