4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine

C14H16BrN — CID 115763577

IUPAC4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc2c1CCC2NC1CC=CC1
InChIInChI=1S/C14H16BrN/c15-13-7-3-6-12-11(13)8-9-14(12)16-10-4-1-2-5-10/h1-3,6-7,10,14,16H,4-5,8-9H2
InChIKeyMUUNTBZYCJUTMB-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.74
Rot. Bonds2

About 4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine

4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine (PubChem CID 115763577) has the molecular formula C14H16BrN and a molecular weight of 278.19 g/mol. Its IUPAC name is 4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
PubChem CID115763577
Molecular FormulaC14H16BrN
Molecular Weight278.19 g/mol
Exact Mass277.05
IUPAC Name4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc2c1CCC2NC1CC=CC1
InChIInChI=1S/C14H16BrN/c15-13-7-3-6-12-11(13)8-9-14(12)16-10-4-1-2-5-10/h1-3,6-7,10,14,16H,4-5,8-9H2
InChIKeyMUUNTBZYCJUTMB-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2,3-dihydro-1H-inden-1-yl)oxan-4-amine
CID 103901793
N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2,2-dimethyloxan-4-amine
CID 103911458
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
[(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol
CID 98875815
1,4-dibromo-2,3-dihydro-1H-indene
CID 63272450
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115927474
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 114185903
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-N-cyclopropylpropanamide
CID 103721645
(1S)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene
CID 129411437
(1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene
CID 129411438
N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115695313

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine (CID 115763577) is 4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine is Brc1cccc2c1CCC2NC1CC=CC1.
What is the InChIKey of 4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MUUNTBZYCJUTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN/c15-13-7-3-6-12-11(13)8-9-14(12)16-10-4-1-2-5-10/h1-3,6-7,10,14,16H,4-5,8-9H2.
What are the key properties of 4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 278.19 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopent-3-en-1-yl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115763577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).