2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide

C12H22N2O — CID 104954995

IUPAC2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C12H22N2O/c1-12(2)8-10(12)11(15)14-7-5-9-4-3-6-13-9/h9-10,13H,3-8H2,1-2H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyVPHNPXMWFDNRDK-RGURZIINSA-N
MW210.32 g/mol
LogP1.29
Rot. Bonds4

About 2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide

2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 104954995) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID104954995
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCC[C@@H]1CCCN1
InChIInChI=1S/C12H22N2O/c1-12(2)8-10(12)11(15)14-7-5-9-4-3-6-13-9/h9-10,13H,3-8H2,1-2H3,(H,14,15)/t9-,10?/m0/s1
InChIKeyVPHNPXMWFDNRDK-RGURZIINSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]cyclopentanecarboxamide
CID 104972065
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955188
N-(2-pyrrolidin-2-ylethyl)cyclopent-3-ene-1-carboxamide
CID 114793726
3-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]adamantane-1-carboxamide
CID 104972040
3-methyl-N-(2-pyrrolidin-2-ylethyl)adamantane-1-carboxamide
CID 114793932
2-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]butanamide
CID 104972087
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
CID 104955184
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide
CID 104971935
3,3-dimethyl-N-(2-pyrrolidin-2-ylethyl)butanamide
CID 114793955
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide (CID 104954995) is 2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide is CC1(C)CC1C(=O)NCC[C@@H]1CCCN1.
What is the InChIKey of 2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is VPHNPXMWFDNRDK-RGURZIINSA-N. The full InChI is InChI=1S/C12H22N2O/c1-12(2)8-10(12)11(15)14-7-5-9-4-3-6-13-9/h9-10,13H,3-8H2,1-2H3,(H,14,15)/t9-,10?/m0/s1.
What are the key properties of 2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide?
2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 104954995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).