ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole

C16H28N2O — CID 145027506

IUPACethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole
SMILESCC.CC1CC1.Cc1ccc2c(c1)NCC2.NC=O
InChIInChI=1S/C9H11N.C4H8.C2H6.CH3NO/c1-7-2-3-8-4-5-10-9(8)6-7;1-4-2-3-4;1-2;2-1-3/h2-3,6,10H,4-5H2,1H3;4H,2-3H2,1H3;1-2H3;1H,(H2,2,3)
InChIKeyWENIIIVHPOVEIL-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.51
Rot. Bonds

About ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole

ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole (PubChem CID 145027506) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Nameethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole
PubChem CID145027506
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Nameethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole
SMILESCC.CC1CC1.Cc1ccc2c(c1)NCC2.NC=O
InChIInChI=1S/C9H11N.C4H8.C2H6.CH3NO/c1-7-2-3-8-4-5-10-9(8)6-7;1-4-2-3-4;1-2;2-1-3/h2-3,6,10H,4-5H2,1H3;4H,2-3H2,1H3;1-2H3;1H,(H2,2,3)
InChIKeyWENIIIVHPOVEIL-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
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 ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole?
The IUPAC name of ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole (CID 145027506) is ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole.
What is the SMILES notation for ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole?
The canonical SMILES for ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole is CC.CC1CC1.Cc1ccc2c(c1)NCC2.NC=O.
What is the InChIKey of ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole?
The InChIKey is WENIIIVHPOVEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C4H8.C2H6.CH3NO/c1-7-2-3-8-4-5-10-9(8)6-7;1-4-2-3-4;1-2;2-1-3/h2-3,6,10H,4-5H2,1H3;4H,2-3H2,1H3;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole?
ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole has a molecular weight of 264.41 g/mol, XLogP of 3.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formamide;methylcyclopropane;6-methyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 145027506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).