(2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone

C12H14N2O — CID 114999401

IUPAC(2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNC1CC1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C12H14N2O/c13-11-5-10(11)12(15)14-6-8-3-1-2-4-9(8)7-14/h1-4,10-11H,5-7,13H2
InChIKeyOMURZENSGLBKJA-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.88
Rot. Bonds1

About (2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone

(2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 114999401) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID114999401
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNC1CC1C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C12H14N2O/c13-11-5-10(11)12(15)14-6-8-3-1-2-4-9(8)7-14/h1-4,10-11H,5-7,13H2
InChIKeyOMURZENSGLBKJA-UHFFFAOYSA-N
XLogP0.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-(1,3-dihydroisoindole-2-carbonyl)cyclopropane-1-carboxylic acid
CID 94373189
1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone
CID 110015718
(2-aminocyclopentyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 64824668
cis-(1S,2R)-2-(5,7-dihydrobenzo[d][2]benzazepine-6-carbonyl)cyclopropane-1-carboxylic acid
CID 129467480
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477
1,4-bis(1,3-dihydroisoindol-2-yl)-2,3-dimethylbutane-1,4-dione
CID 119035210
(2-aminocyclopentyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 64824026
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
1,3-dihydroisoindol-2-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631484
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 4688630
1,3-dihydroisoindol-2-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119777889
1-adamantyl(1,3-dihydroisoindol-2-yl)methanone
CID 71559523

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 114999401) is (2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone is NC1CC1C(=O)N1Cc2ccccc2C1.
What is the InChIKey of (2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is OMURZENSGLBKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-11-5-10(11)12(15)14-6-8-3-1-2-4-9(8)7-14/h1-4,10-11H,5-7,13H2.
What are the key properties of (2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone?
(2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 202.26 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopropyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 114999401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).