2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile

C14H11ClN2O2 — CID 65495661

IUPAC2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2C(=O)C(=O)c3c(Cl)cccc32)CC1
InChIInChI=1S/C14H11ClN2O2/c15-9-2-1-3-10-11(9)12(18)13(19)17(10)8-14(4-5-14)6-7-16/h1-3H,4-6,8H2
InChIKeyNHFHPWLROSTCOU-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.56
Rot. Bonds3

About 2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 65495661) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID65495661
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN2C(=O)C(=O)c3c(Cl)cccc32)CC1
InChIInChI=1S/C14H11ClN2O2/c15-9-2-1-3-10-11(9)12(18)13(19)17(10)8-14(4-5-14)6-7-16/h1-3H,4-6,8H2
InChIKeyNHFHPWLROSTCOU-UHFFFAOYSA-N
XLogP2.56
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile (CID 65495661) is 2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(CN2C(=O)C(=O)c3c(Cl)cccc32)CC1.
What is the InChIKey of 2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is NHFHPWLROSTCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-9-2-1-3-10-11(9)12(18)13(19)17(10)8-14(4-5-14)6-7-16/h1-3H,4-6,8H2.
What are the key properties of 2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 274.71 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-2,3-dioxoindol-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65495661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).