2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one

C14H16N2O — CID 103354311

IUPAC2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1CC1(N)CCC1
InChIInChI=1S/C14H16N2O/c1-10-11-5-2-3-6-12(11)13(17)16(10)9-14(15)7-4-8-14/h2-3,5-6H,1,4,7-9,15H2
InChIKeyVOEQUGZGLBMBKY-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.99
Rot. Bonds2

About 2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one

2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one (PubChem CID 103354311) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one.

Molecular Properties

Compound Name2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one
PubChem CID103354311
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1CC1(N)CCC1
InChIInChI=1S/C14H16N2O/c1-10-11-5-2-3-6-12(11)13(17)16(10)9-14(15)7-4-8-14/h2-3,5-6H,1,4,7-9,15H2
InChIKeyVOEQUGZGLBMBKY-UHFFFAOYSA-N
XLogP1.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methylideneisoindol-1-one
CID 103969041
3-methylidene-2-(2-oxo-2-pyrrolidin-1-ylethyl)isoindol-1-one
CID 47132389
3-methylidene-2-(2-sulfanylethyl)isoindol-1-one
CID 142003897
2-(1-methylidene-3-oxoisoindol-2-yl)ethanethioamide
CID 143782156
2-[(2-hydroxycyclohexyl)methyl]-3-methylideneisoindol-1-one
CID 64911476
2-(2-amino-2-phenylethyl)-3-methylideneisoindol-1-one
CID 63120879
2-(3-amino-2,2-difluoropropyl)-3-methylideneisoindol-1-one
CID 114384578
N-[(1-hydroxycycloheptyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 111433260
3-methylidene-2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethyl]isoindol-1-one
CID 16622791
2-[[1-(hydroxymethyl)cyclopentyl]methyl]isoindole-1,3-dione
CID 71756779
3-methylidene-2-[2-oxo-2-(4-propanoyl-1,4-diazepan-1-yl)ethyl]isoindol-1-one
CID 87030569
2-(5-hydroxypentyl)-3-methylideneisoindol-1-one
CID 107319609

Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one?
The IUPAC name of 2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one (CID 103354311) is 2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one.
What is the SMILES notation for 2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one?
The canonical SMILES for 2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one is C=C1c2ccccc2C(=O)N1CC1(N)CCC1.
What is the InChIKey of 2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one?
The InChIKey is VOEQUGZGLBMBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-11-5-2-3-6-12(11)13(17)16(10)9-14(15)7-4-8-14/h2-3,5-6H,1,4,7-9,15H2.
What are the key properties of 2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one?
2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one has a molecular weight of 228.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocyclobutyl)methyl]-3-methylideneisoindol-1-one is sourced from PubChem (CID 103354311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).