N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide

C9H15FN2O — CID 121199959

IUPACN-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(NCC1CC1)C1CC(F)CN1
InChIInChI=1S/C9H15FN2O/c10-7-3-8(11-5-7)9(13)12-4-6-1-2-6/h6-8,11H,1-5H2,(H,12,13)
InChIKeyKQMCNGLJUBWJPB-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.21
Rot. Bonds3

About N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide

N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide (PubChem CID 121199959) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide
PubChem CID121199959
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC NameN-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide
SMILESO=C(NCC1CC1)C1CC(F)CN1
InChIInChI=1S/C9H15FN2O/c10-7-3-8(11-5-7)9(13)12-4-6-1-2-6/h6-8,11H,1-5H2,(H,12,13)
InChIKeyKQMCNGLJUBWJPB-UHFFFAOYSA-N
XLogP0.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide
CID 129493468
(2S,4R)-4-fluoro-N-propylpyrrolidine-2-carboxamide
CID 129321630
(2R)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]azetidine-2-carboxamide
CID 130608654
(2R,4S)-4-fluoro-N-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 131160678
(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
CID 130670141
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 106134352
4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119756559
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
4-methyl-N-[(4-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114424006
4-methoxy-N-[(3-methylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 103832995
N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 107413534
4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 126622634

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide (CID 121199959) is N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide is O=C(NCC1CC1)C1CC(F)CN1.
What is the InChIKey of N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is KQMCNGLJUBWJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c10-7-3-8(11-5-7)9(13)12-4-6-1-2-6/h6-8,11H,1-5H2,(H,12,13).
What are the key properties of N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide?
N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 186.23 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 121199959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).