2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one

C16H28N2O — CID 155455481

IUPAC2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
SMILESC=CCCCN1CC2(CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C16H28N2O/c1-4-5-6-9-17-12-16(13-17)7-10-18(11-8-16)15(19)14(2)3/h4,14H,1,5-13H2,2-3H3
InChIKeyYSTGHPGMQZNCBH-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.53
Rot. Bonds5

About 2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one

2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one (PubChem CID 155455481) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
PubChem CID155455481
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
SMILESC=CCCCN1CC2(CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C16H28N2O/c1-4-5-6-9-17-12-16(13-17)7-10-18(11-8-16)15(19)14(2)3/h4,14H,1,5-13H2,2-3H3
InChIKeyYSTGHPGMQZNCBH-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one (CID 155455481) is 2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one is C=CCCCN1CC2(CCN(C(=O)C(C)C)CC2)C1.
What is the InChIKey of 2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one?
The InChIKey is YSTGHPGMQZNCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-5-6-9-17-12-16(13-17)7-10-18(11-8-16)15(19)14(2)3/h4,14H,1,5-13H2,2-3H3.
What are the key properties of 2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one?
2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one has a molecular weight of 264.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one is sourced from PubChem (CID 155455481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).