6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one

C19H16ClNO2 — CID 137484086

IUPAC6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one
SMILESC=C1C(=O)Nc2cc(Cl)c(-c3ccc(C4(CO)CC4)cc3)cc21
InChIInChI=1S/C19H16ClNO2/c1-11-14-8-15(16(20)9-17(14)21-18(11)23)12-2-4-13(5-3-12)19(10-22)6-7-19/h2-5,8-9,22H,1,6-7,10H2,(H,21,23)
InChIKeyGWQWAALMVAHJDJ-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.00
Rot. Bonds3

About 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one

6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one (PubChem CID 137484086) has the molecular formula C19H16ClNO2 and a molecular weight of 325.80 g/mol. Its IUPAC name is 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one
PubChem CID137484086
Molecular FormulaC19H16ClNO2
Molecular Weight325.80 g/mol
Exact Mass325.09
IUPAC Name6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one
SMILESC=C1C(=O)Nc2cc(Cl)c(-c3ccc(C4(CO)CC4)cc3)cc21
InChIInChI=1S/C19H16ClNO2/c1-11-14-8-15(16(20)9-17(14)21-18(11)23)12-2-4-13(5-3-12)19(10-22)6-7-19/h2-5,8-9,22H,1,6-7,10H2,(H,21,23)
InChIKeyGWQWAALMVAHJDJ-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-chloro-5-(4-cyclopropylphenyl)-3-methylidene-1H-indol-2-one;fluorobenzene
CID 144866763
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carboxylic acid
CID 71767830
5-[4-(2-amino-3-ethylphenyl)phenyl]-6-chloro-3-methylidene-1H-indol-2-one;5-methyl-2H-pyrrole
CID 144866724
(3aR,6aR)-6-[[5-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2,3-dihydro-1H-benzimidazol-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 165117304
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
ethyl 2-[3-[7-chloro-6-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-oxo-1H-quinolin-3-yl]phenyl]acetate
CID 162354388
2-[4-fluoro-2-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]phenyl]acetic acid
CID 167761329
6-chloro-2-[[(3R,6R)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indole-3-carbaldehyde
CID 144700427
4-[1-(hydroxymethyl)cyclopropyl]phenol
CID 10877457
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
[1-(3-chloro-4-propan-2-ylsulfonylphenyl)cyclopropyl]methanol
CID 105424453
[6-chloro-2-hydroxy-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-indol-3-yl]-(6-methoxy-3-pyridinyl)methanone
CID 137000331

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one?
The IUPAC name of 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one (CID 137484086) is 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one.
What is the SMILES notation for 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one?
The canonical SMILES for 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one is C=C1C(=O)Nc2cc(Cl)c(-c3ccc(C4(CO)CC4)cc3)cc21.
What is the InChIKey of 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one?
The InChIKey is GWQWAALMVAHJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO2/c1-11-14-8-15(16(20)9-17(14)21-18(11)23)12-2-4-13(5-3-12)19(10-22)6-7-19/h2-5,8-9,22H,1,6-7,10H2,(H,21,23).
What are the key properties of 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one?
6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one has a molecular weight of 325.80 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-3-methylidene-1H-indol-2-one is sourced from PubChem (CID 137484086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).