N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide

C12H12N2O2 — CID 168652997

IUPACN-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide
SMILESO=CNc1cccc2c1CN(C1CC1)C2=O
InChIInChI=1S/C12H12N2O2/c15-7-13-11-3-1-2-9-10(11)6-14(12(9)16)8-4-5-8/h1-3,7-8H,4-6H2,(H,13,15)
InChIKeyYEGDENULTJOXRW-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.37
Rot. Bonds3

About N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide

N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide (PubChem CID 168652997) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide
PubChem CID168652997
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide
SMILESO=CNc1cccc2c1CN(C1CC1)C2=O
InChIInChI=1S/C12H12N2O2/c15-7-13-11-3-1-2-9-10(11)6-14(12(9)16)8-4-5-8/h1-3,7-8H,4-6H2,(H,13,15)
InChIKeyYEGDENULTJOXRW-UHFFFAOYSA-N
XLogP1.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyclohexyl-1-oxo-3H-isoindol-4-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168607913
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]formamide;pent-1-yne
CID 156793826
4-[(2-chloro-1,3-thiazol-5-yl)methylamino]-2-cyclopropyl-3H-isoindol-1-one
CID 168582484
2-cyclohexyl-4-ethenyl-3H-isoindol-1-one
CID 172876105
4-(7-bromo-3-oxo-1H-isoindol-2-yl)cyclohexane-1-carboxylic acid
CID 178071977
N-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]azetidine-1-carbonyl]phenyl]formamide
CID 138611897
2-chloro-N-[1-oxo-2-(6-oxopiperidin-3-yl)-3H-isoindol-4-yl]acetamide
CID 175145574
N-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]piperidine-1-carbonyl]phenyl]formamide
CID 138611916
4-fluoro-2-[(3R)-pyrrolidin-3-yl]-3H-isoindol-1-one;hydrochloride
CID 86276896
3-[7-(chloroamino)-3-oxo-1H-isoindol-2-yl]-1-propan-2-ylpiperidine-2,6-dione
CID 130441995
2-cyclopropyl-3-oxo-1H-isoindole-5-carbaldehyde
CID 83819356
4-methyl-2-(6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 139448254

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide?
The IUPAC name of N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide (CID 168652997) is N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide.
What is the SMILES notation for N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide?
The canonical SMILES for N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide is O=CNc1cccc2c1CN(C1CC1)C2=O.
What is the InChIKey of N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide?
The InChIKey is YEGDENULTJOXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-7-13-11-3-1-2-9-10(11)6-14(12(9)16)8-4-5-8/h1-3,7-8H,4-6H2,(H,13,15).
What are the key properties of N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide?
N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide has a molecular weight of 216.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-oxo-3H-isoindol-4-yl)formamide is sourced from PubChem (CID 168652997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).