(7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone

C18H18N2O — CID 114455613

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
SMILESNc1cccc2c1N(C(=O)C1(c3ccccc3)CC1)CC2
InChIInChI=1S/C18H18N2O/c19-15-8-4-5-13-9-12-20(16(13)15)17(21)18(10-11-18)14-6-2-1-3-7-14/h1-8H,9-12,19H2
InChIKeyJVMYCXLXCKSQIY-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.89
Rot. Bonds2

About (7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 114455613) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
PubChem CID114455613
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone
SMILESNc1cccc2c1N(C(=O)C1(c3ccccc3)CC1)CC2
InChIInChI=1S/C18H18N2O/c19-15-8-4-5-13-9-12-20(16(13)15)17(21)18(10-11-18)14-6-2-1-3-7-14/h1-8H,9-12,19H2
InChIKeyJVMYCXLXCKSQIY-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7-amino-2,3-dihydroindol-1-yl)-(1-ethylcyclopentyl)methanone
CID 114455722
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
1-(7-amino-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one
CID 114455603
1-(7-amino-2,3-dihydroindol-1-yl)-2-cycloheptylethanone
CID 114458473
2,3-dihydroindol-1-yl-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198266
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
1-(7-amino-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 114455890
1-(7-amino-2,3-dihydroindol-1-yl)-2-phenylbutan-1-one
CID 114455688
1-(7-amino-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 114455761
(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone (CID 114455613) is (7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone is Nc1cccc2c1N(C(=O)C1(c3ccccc3)CC1)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is JVMYCXLXCKSQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c19-15-8-4-5-13-9-12-20(16(13)15)17(21)18(10-11-18)14-6-2-1-3-7-14/h1-8H,9-12,19H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 278.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 114455613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).