N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide

C10H17FN2O — CID 135175860

IUPACN-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(F)CN(C(C)C)C1
InChIInChI=1S/C10H17FN2O/c1-4-9(14)12-5-10(11)6-13(7-10)8(2)3/h4,8H,1,5-7H2,2-3H3,(H,12,14)
InChIKeyVSWGVSRZHZGZLU-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.72
Rot. Bonds4

About N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide

N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide (PubChem CID 135175860) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide
PubChem CID135175860
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC NameN-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(F)CN(C(C)C)C1
InChIInChI=1S/C10H17FN2O/c1-4-9(14)12-5-10(11)6-13(7-10)8(2)3/h4,8H,1,5-7H2,2-3H3,(H,12,14)
InChIKeyVSWGVSRZHZGZLU-UHFFFAOYSA-N
XLogP0.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide (CID 135175860) is N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide is C=CC(=O)NCC1(F)CN(C(C)C)C1.
What is the InChIKey of N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide?
The InChIKey is VSWGVSRZHZGZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-4-9(14)12-5-10(11)6-13(7-10)8(2)3/h4,8H,1,5-7H2,2-3H3,(H,12,14).
What are the key properties of N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide?
N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide has a molecular weight of 200.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 135175860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).