2-amino-2-cyclopropylhept-5-yn-3-one

C10H15NO — CID 116558409

IUPAC2-amino-2-cyclopropylhept-5-yn-3-one
SMILESCC#CCC(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H15NO/c1-3-4-5-9(12)10(2,11)8-6-7-8/h8H,5-7,11H2,1-2H3
InChIKeyIHAKHWJEVJWUNN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-2-cyclopropylhept-5-yn-3-one

2-amino-2-cyclopropylhept-5-yn-3-one (PubChem CID 116558409) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-amino-2-cyclopropylhept-5-yn-3-one.

Molecular Properties

Compound Name2-amino-2-cyclopropylhept-5-yn-3-one
PubChem CID116558409
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-amino-2-cyclopropylhept-5-yn-3-one
SMILESCC#CCC(=O)C(C)(N)C1CC1
InChIInChI=1S/C10H15NO/c1-3-4-5-9(12)10(2,11)8-6-7-8/h8H,5-7,11H2,1-2H3
InChIKeyIHAKHWJEVJWUNN-UHFFFAOYSA-N
XLogP1.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Amino-2-methylcyclopropyl)ethanone
CID 22091718
1-[(1R)-1-amino-2-methylcyclopropyl]ethanone
CID 59963701
1-[(1R,2S)-1-amino-2-methylcyclopropyl]ethanone
CID 59976368
2-amino-2-methyl-1-[(2R)-2-methylcyclopropyl]propan-1-one
CID 89159809
2-Amino-2-methyl-1-(2-methylcyclopropyl)propan-1-one
CID 123141265
1-[(1R,2R)-1-amino-2-methylcyclopropyl]ethanone
CID 161273427
1-Butanone, 2-amino-1-cyclopropyl-2,3-dimethyl-
CID 45091683
2-Amino-2-cyclopropyl-4-methylheptan-3-one
CID 107889935
5-Amino-5-methyloct-1-yn-4-one
CID 116556895
6-Amino-6-methylnon-2-yn-5-one
CID 116556951
4-Amino-4-methylhept-1-yn-3-one
CID 116557047
4-Amino-4-methyldec-8-yn-5-one
CID 116557201

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropylhept-5-yn-3-one?
The IUPAC name of 2-amino-2-cyclopropylhept-5-yn-3-one (CID 116558409) is 2-amino-2-cyclopropylhept-5-yn-3-one.
What is the SMILES notation for 2-amino-2-cyclopropylhept-5-yn-3-one?
The canonical SMILES for 2-amino-2-cyclopropylhept-5-yn-3-one is CC#CCC(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropylhept-5-yn-3-one?
The InChIKey is IHAKHWJEVJWUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-5-9(12)10(2,11)8-6-7-8/h8H,5-7,11H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropylhept-5-yn-3-one?
2-amino-2-cyclopropylhept-5-yn-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropylhept-5-yn-3-one is sourced from PubChem (CID 116558409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).