(3S)-3-methyl-2-methylidenecyclopentan-1-one

C7H10O — CID 11789153

IUPAC(3S)-3-methyl-2-methylidenecyclopentan-1-one
SMILESC=C1C(=O)CC[C@@H]1C
InChIInChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyVNBYXKUTSDMQKK-YFKPBYRVSA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds

About (3S)-3-methyl-2-methylidenecyclopentan-1-one

(3S)-3-methyl-2-methylidenecyclopentan-1-one (PubChem CID 11789153) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is (3S)-3-methyl-2-methylidenecyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-methyl-2-methylidenecyclopentan-1-one
PubChem CID11789153
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name(3S)-3-methyl-2-methylidenecyclopentan-1-one
SMILESC=C1C(=O)CC[C@@H]1C
InChIInChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyVNBYXKUTSDMQKK-YFKPBYRVSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.54
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-methyl-2-methylidenecyclobutane
CID 20800914
2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one
CID 5384425
1-methyl-2,3-dimethylidenecycloheptane
CID 20744103
(2R,4aS,4bR,8aS,10aS)-9-amino-2,4,4-trimethyl-5-methylidene-1,2,4a,4b,7,8,8a,10a-octahydrophenanthrene-3,6-dione
CID 138606828
2-(dimethylaminomethylidene)-6-methyl-3-methylidenecyclohexan-1-one
CID 123735445
2-methylidene-3-phenylcyclopentan-1-one
CID 24978032
2-[(1R)-2-methylidene-3-oxocyclopentyl]acetic acid
CID 132555561
(3aR,7aR)-7a-methyl-4-methylidene-3,3a,6,7-tetrahydro-2H-indene-1,5-dione
CID 130992542
8-hydroxy-4,5-dimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 121000728
(4R)-2,4-dimethyl-3-(3-methylbut-3-enyl)cyclohex-2-en-1-one
CID 92982551
7-chloro-4,5,8-trimethyl-3,4-dihydro-2H-naphthalen-1-one
CID 115417433
(4R)-4-bromo-3,3-dimethyl-2-methylidenecyclohexan-1-one
CID 132551745

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2-methylidenecyclopentan-1-one?
The IUPAC name of (3S)-3-methyl-2-methylidenecyclopentan-1-one (CID 11789153) is (3S)-3-methyl-2-methylidenecyclopentan-1-one.
What is the SMILES notation for (3S)-3-methyl-2-methylidenecyclopentan-1-one?
The canonical SMILES for (3S)-3-methyl-2-methylidenecyclopentan-1-one is C=C1C(=O)CC[C@@H]1C.
What is the InChIKey of (3S)-3-methyl-2-methylidenecyclopentan-1-one?
The InChIKey is VNBYXKUTSDMQKK-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10O/c1-5-3-4-7(8)6(5)2/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-methyl-2-methylidenecyclopentan-1-one?
(3S)-3-methyl-2-methylidenecyclopentan-1-one has a molecular weight of 110.16 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-2-methylidenecyclopentan-1-one is sourced from PubChem (CID 11789153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).