1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one

C10H14O — CID 114982434

IUPAC1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one
SMILESC=CC(=O)C1C2CCCCC21
InChIInChI=1S/C10H14O/c1-2-9(11)10-7-5-3-4-6-8(7)10/h2,7-8,10H,1,3-6H2
InChIKeyVHBBQMLKUKWRAE-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds2

About 1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one

1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one (PubChem CID 114982434) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one
PubChem CID114982434
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one
SMILESC=CC(=O)C1C2CCCCC21
InChIInChI=1S/C10H14O/c1-2-9(11)10-7-5-3-4-6-8(7)10/h2,7-8,10H,1,3-6H2
InChIKeyVHBBQMLKUKWRAE-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-3-methylbut-2-en-1-one
CID 115780844
N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide
CID 4301039
11-tricyclo[6.2.1.02,7]undecanyl prop-2-enoate
CID 89290617
4-prop-2-enoylcyclooctane-1-carboxylic acid
CID 138456010
1-(thian-2-yl)prop-2-en-1-one
CID 80622300
1-piperidin-2-ylprop-2-en-1-one
CID 116547790
4-prop-2-enoylcycloundecane-1-carboxylic acid
CID 167291124
bicyclo[6.1.0]nonane-9-carboxamide
CID 10012283
5-prop-2-enoylcyclooctane-1-carboxylic acid
CID 155138380
3-(2-prop-2-enoylcyclohexyl)prop-2-enoic acid
CID 123518426
1-(7-bicyclo[4.1.0]heptanyl)prop-2-yn-1-one
CID 114978533
methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one (CID 114982434) is 1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one is C=CC(=O)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one?
The InChIKey is VHBBQMLKUKWRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-9(11)10-7-5-3-4-6-8(7)10/h2,7-8,10H,1,3-6H2.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one?
1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)prop-2-en-1-one is sourced from PubChem (CID 114982434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).