2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one

C16H26N2O — CID 155750803

IUPAC2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one
SMILESCCC#CCN1CCC2(CC1)CN(C(=O)C(C)C)C2
InChIInChI=1S/C16H26N2O/c1-4-5-6-9-17-10-7-16(8-11-17)12-18(13-16)15(19)14(2)3/h14H,4,7-13H2,1-3H3
InChIKeyBVNUKCMUULFPBT-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.98
Rot. Bonds2

About 2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one

2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one (PubChem CID 155750803) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one
PubChem CID155750803
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one
SMILESCCC#CCN1CCC2(CC1)CN(C(=O)C(C)C)C2
InChIInChI=1S/C16H26N2O/c1-4-5-6-9-17-10-7-16(8-11-17)12-18(13-16)15(19)14(2)3/h14H,4,7-13H2,1-3H3
InChIKeyBVNUKCMUULFPBT-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one (CID 155750803) is 2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one is CCC#CCN1CCC2(CC1)CN(C(=O)C(C)C)C2.
What is the InChIKey of 2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one?
The InChIKey is BVNUKCMUULFPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-6-9-17-10-7-16(8-11-17)12-18(13-16)15(19)14(2)3/h14H,4,7-13H2,1-3H3.
What are the key properties of 2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one?
2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one has a molecular weight of 262.40 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-pent-2-ynyl-2,7-diazaspiro[3.5]nonan-2-yl)propan-1-one is sourced from PubChem (CID 155750803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).