(2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide

C14H14ClNO — CID 11064748

IUPAC(2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
SMILESO=C(/C=C1\CCc2cc(Cl)ccc21)NC1CC1
InChIInChI=1S/C14H14ClNO/c15-11-3-6-13-9(7-11)1-2-10(13)8-14(17)16-12-4-5-12/h3,6-8,12H,1-2,4-5H2,(H,16,17)/b10-8+
InChIKeyBGHMWJAZNCTSRV-CSKARUKUSA-N
MW247.72 g/mol
LogP2.95
Rot. Bonds2

About (2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide

(2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide (PubChem CID 11064748) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is (2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide.

Molecular Properties

Compound Name(2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
PubChem CID11064748
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name(2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
SMILESO=C(/C=C1\CCc2cc(Cl)ccc21)NC1CC1
InChIInChI=1S/C14H14ClNO/c15-11-3-6-13-9(7-11)1-2-10(13)8-14(17)16-12-4-5-12/h3,6-8,12H,1-2,4-5H2,(H,16,17)/b10-8+
InChIKeyBGHMWJAZNCTSRV-CSKARUKUSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.95
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
The IUPAC name of (2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide (CID 11064748) is (2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide.
What is the SMILES notation for (2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
The canonical SMILES for (2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide is O=C(/C=C1\CCc2cc(Cl)ccc21)NC1CC1.
What is the InChIKey of (2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
The InChIKey is BGHMWJAZNCTSRV-CSKARUKUSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-11-3-6-13-9(7-11)1-2-10(13)8-14(17)16-12-4-5-12/h3,6-8,12H,1-2,4-5H2,(H,16,17)/b10-8+.
What are the key properties of (2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide?
(2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide has a molecular weight of 247.72 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(5-chloro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide is sourced from PubChem (CID 11064748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).