N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide

C8H13FN2O — CID 130668602

IUPACN-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide
SMILESCC1(F)CN(C(=O)NC2CC2)C1
InChIInChI=1S/C8H13FN2O/c1-8(9)4-11(5-8)7(12)10-6-2-3-6/h6H,2-5H2,1H3,(H,10,12)
InChIKeyKNTSMROAHBRPOK-UHFFFAOYSA-N
MW172.20 g/mol
LogP0.90
Rot. Bonds1

About N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide

N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide (PubChem CID 130668602) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide
PubChem CID130668602
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC NameN-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide
SMILESCC1(F)CN(C(=O)NC2CC2)C1
InChIInChI=1S/C8H13FN2O/c1-8(9)4-11(5-8)7(12)10-6-2-3-6/h6H,2-5H2,1H3,(H,10,12)
InChIKeyKNTSMROAHBRPOK-UHFFFAOYSA-N
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123468
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 122023871
3-amino-N-cyclopropyl-4,4-dimethylpiperidine-1-carboxamide
CID 115269980
N-cyclobutyl-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 115872270
N-cyclopropyl-4-(dimethylamino)piperidine-1-carboxamide
CID 115580147
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
tert-butyl 4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]piperidine-1-carboxylate
CID 48713065
(4S)-N-cyclopentyl-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 72870335
3-amino-N-cyclobutyl-3-propylazetidine-1-carboxamide
CID 116658892
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide?
The IUPAC name of N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide (CID 130668602) is N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide is CC1(F)CN(C(=O)NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide?
The InChIKey is KNTSMROAHBRPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-8(9)4-11(5-8)7(12)10-6-2-3-6/h6H,2-5H2,1H3,(H,10,12).
What are the key properties of N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide?
N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide has a molecular weight of 172.20 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-3-methylazetidine-1-carboxamide is sourced from PubChem (CID 130668602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).