(2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide

C14H14BrNO — CID 19698778

IUPAC(2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
SMILESO=C(/C=C1/CCc2ccc(Br)cc21)NC1CC1
InChIInChI=1S/C14H14BrNO/c15-11-4-3-9-1-2-10(13(9)8-11)7-14(17)16-12-5-6-12/h3-4,7-8,12H,1-2,5-6H2,(H,16,17)/b10-7-
InChIKeyKVCNDHUKCOHVCI-YFHOEESVSA-N
MW292.18 g/mol
LogP3.06
Rot. Bonds2

About (2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide

(2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide (PubChem CID 19698778) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is (2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide.

Molecular Properties

Compound Name(2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
PubChem CID19698778
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name(2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
SMILESO=C(/C=C1/CCc2ccc(Br)cc21)NC1CC1
InChIInChI=1S/C14H14BrNO/c15-11-4-3-9-1-2-10(13(9)8-11)7-14(17)16-12-5-6-12/h3-4,7-8,12H,1-2,5-6H2,(H,16,17)/b10-7-
InChIKeyKVCNDHUKCOHVCI-YFHOEESVSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-N-cyclobutyl-2-(6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 10977718
(2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide
CID 10956023
(2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
CID 11064748
(2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
CID 11780420
N-(3-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)prop-2-enamide
CID 166408981
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
(2E)-2-(3-bromo-5-oxo-8,9-dihydro-7H-benzo[7]annulen-6-ylidene)acetic acid
CID 155676462
acetic acid;6-bromo-4-methyl-1,2-dihydronaphthalene
CID 67781269
(2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde
CID 121003853
8-bromo-1-oxo-2,3,4,5-tetrahydro-2-benzazepine-3-carboxylic acid
CID 84643345
2-(2-amino-4-bromophenyl)sulfonyl-N-cyclopropylacetamide
CID 81185115
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
The IUPAC name of (2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide (CID 19698778) is (2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide.
What is the SMILES notation for (2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
The canonical SMILES for (2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide is O=C(/C=C1/CCc2ccc(Br)cc21)NC1CC1.
What is the InChIKey of (2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
The InChIKey is KVCNDHUKCOHVCI-YFHOEESVSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-11-4-3-9-1-2-10(13(9)8-11)7-14(17)16-12-5-6-12/h3-4,7-8,12H,1-2,5-6H2,(H,16,17)/b10-7-.
What are the key properties of (2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
(2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide has a molecular weight of 292.18 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(6-bromo-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide is sourced from PubChem (CID 19698778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).