N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide

C15H17NO2 — CID 54084626

IUPACN-(1-oxo-3-pentan-3-ylinden-2-yl)formamide
SMILESCCC(CC)C1=C(NC=O)C(=O)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-3-10(4-2)13-11-7-5-6-8-12(11)15(18)14(13)16-9-17/h5-10H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyMPNXRVLZLDSOQB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.78
Rot. Bonds5

About N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide

N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide (PubChem CID 54084626) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide.

Molecular Properties

Compound NameN-(1-oxo-3-pentan-3-ylinden-2-yl)formamide
PubChem CID54084626
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-(1-oxo-3-pentan-3-ylinden-2-yl)formamide
SMILESCCC(CC)C1=C(NC=O)C(=O)c2ccccc21
InChIInChI=1S/C15H17NO2/c1-3-10(4-2)13-11-7-5-6-8-12(11)15(18)14(13)16-9-17/h5-10H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyMPNXRVLZLDSOQB-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide?
The IUPAC name of N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide (CID 54084626) is N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide.
What is the SMILES notation for N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide?
The canonical SMILES for N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide is CCC(CC)C1=C(NC=O)C(=O)c2ccccc21.
What is the InChIKey of N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide?
The InChIKey is MPNXRVLZLDSOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-3-10(4-2)13-11-7-5-6-8-12(11)15(18)14(13)16-9-17/h5-10H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide?
N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide has a molecular weight of 243.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-pentan-3-ylinden-2-yl)formamide is sourced from PubChem (CID 54084626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).