4-cyclopropyl-4-methylpyrrolidine-3-carboxamide

C9H16N2O — CID 114486962

IUPAC4-cyclopropyl-4-methylpyrrolidine-3-carboxamide
SMILESCC1(C2CC2)CNCC1C(N)=O
InChIInChI=1S/C9H16N2O/c1-9(6-2-3-6)5-11-4-7(9)8(10)12/h6-7,11H,2-5H2,1H3,(H2,10,12)
InChIKeyKOBNJTMJAKQFIO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.11
Rot. Bonds2

About 4-cyclopropyl-4-methylpyrrolidine-3-carboxamide

4-cyclopropyl-4-methylpyrrolidine-3-carboxamide (PubChem CID 114486962) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-cyclopropyl-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-4-methylpyrrolidine-3-carboxamide
PubChem CID114486962
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-cyclopropyl-4-methylpyrrolidine-3-carboxamide
SMILESCC1(C2CC2)CNCC1C(N)=O
InChIInChI=1S/C9H16N2O/c1-9(6-2-3-6)5-11-4-7(9)8(10)12/h6-7,11H,2-5H2,1H3,(H2,10,12)
InChIKeyKOBNJTMJAKQFIO-UHFFFAOYSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclopropylmethyl)-4-methylpyrrolidine-3-carboxamide
CID 114486950
8-propan-2-yl-2-azaspiro[4.5]decane-4-carboxamide
CID 114486977
6,9-dimethyl-2-azaspiro[4.5]decane-4-carboxamide
CID 114486982
7,7,9-trimethyl-2-azaspiro[4.5]decane-4-carboxamide
CID 114487107
4-ethyl-4-propan-2-ylpyrrolidine-3-carboxamide
CID 114486997
8-ethyl-2-azaspiro[4.4]nonane-4-carboxamide
CID 114487091
4-(furan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 114487038
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915452
4-[(2-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 114834626
(4S)-3,3-dimethyl-4-prop-1-en-2-ylpyrrolidine
CID 166075509
5-methyl-3-azabicyclo[3.2.0]heptan-6-ol
CID 139417373

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of 4-cyclopropyl-4-methylpyrrolidine-3-carboxamide (CID 114486962) is 4-cyclopropyl-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-cyclopropyl-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-cyclopropyl-4-methylpyrrolidine-3-carboxamide is CC1(C2CC2)CNCC1C(N)=O.
What is the InChIKey of 4-cyclopropyl-4-methylpyrrolidine-3-carboxamide?
The InChIKey is KOBNJTMJAKQFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(6-2-3-6)5-11-4-7(9)8(10)12/h6-7,11H,2-5H2,1H3,(H2,10,12).
What are the key properties of 4-cyclopropyl-4-methylpyrrolidine-3-carboxamide?
4-cyclopropyl-4-methylpyrrolidine-3-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114486962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).