(2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide

C15H17NO — CID 10868029

IUPAC(2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide
SMILESCc1cccc2c1CC/C2=C\C(=O)NC1CC1
InChIInChI=1S/C15H17NO/c1-10-3-2-4-14-11(5-8-13(10)14)9-15(17)16-12-6-7-12/h2-4,9,12H,5-8H2,1H3,(H,16,17)/b11-9+
InChIKeyQZPFAVIBFTUIJL-PKNBQFBNSA-N
MW227.31 g/mol
LogP2.60
Rot. Bonds2

About (2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide

(2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 10868029) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is (2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID10868029
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name(2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide
SMILESCc1cccc2c1CC/C2=C\C(=O)NC1CC1
InChIInChI=1S/C15H17NO/c1-10-3-2-4-14-11(5-8-13(10)14)9-15(17)16-12-6-7-12/h2-4,9,12H,5-8H2,1H3,(H,16,17)/b11-9+
InChIKeyQZPFAVIBFTUIJL-PKNBQFBNSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.60
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)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide (CID 10868029) is (2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide is Cc1cccc2c1CC/C2=C\C(=O)NC1CC1.
What is the InChIKey of (2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is QZPFAVIBFTUIJL-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-3-2-4-14-11(5-8-13(10)14)9-15(17)16-12-6-7-12/h2-4,9,12H,5-8H2,1H3,(H,16,17)/b11-9+.
What are the key properties of (2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide?
(2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 227.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-cyclopropyl-2-(4-methyl-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 10868029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).