(4E)-4-(cyclopropylmethylidene)nonan-3-one

C13H22O — CID 25063160

IUPAC(4E)-4-(cyclopropylmethylidene)nonan-3-one
SMILESCCCCC/C(=C\C1CC1)C(=O)CC
InChIInChI=1S/C13H22O/c1-3-5-6-7-12(13(14)4-2)10-11-8-9-11/h10-11H,3-9H2,1-2H3/b12-10+
InChIKeyMVRJRRXLCKYUGB-ZRDIBKRKSA-N
MW194.32 g/mol
LogP3.88
Rot. Bonds7

About (4E)-4-(cyclopropylmethylidene)nonan-3-one

(4E)-4-(cyclopropylmethylidene)nonan-3-one (PubChem CID 25063160) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (4E)-4-(cyclopropylmethylidene)nonan-3-one.

Molecular Properties

Compound Name(4E)-4-(cyclopropylmethylidene)nonan-3-one
PubChem CID25063160
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(4E)-4-(cyclopropylmethylidene)nonan-3-one
SMILESCCCCC/C(=C\C1CC1)C(=O)CC
InChIInChI=1S/C13H22O/c1-3-5-6-7-12(13(14)4-2)10-11-8-9-11/h10-11H,3-9H2,1-2H3/b12-10+
InChIKeyMVRJRRXLCKYUGB-ZRDIBKRKSA-N
XLogP3.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclobutylmethylidene)octan-2-one
CID 68528900
(4E)-4-(cyclohexylmethylidene)octane-3,6-dione
CID 134924255
3-(cyclohex-3-en-1-ylmethylidene)octan-2-one
CID 68525382
ethyl (2E)-2-(cyclohexylmethylidene)hexanoate
CID 10752447
[(Z)-2-propylhept-1-enyl]cyclopentane
CID 134978984
(2E)-2-(cyclohexylmethylidene)-N-phenyloctanamide
CID 15687746
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085
tris(octadecanoate);praseodymium(3+)
CID 56841917
tris(pentadecanoate);praseodymium(3+)
CID 101109870
praseodymium(3+);tris(undecanoate)
CID 101109865
hexanoyl cyclopropanecarboxylate
CID 174962910

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(cyclopropylmethylidene)nonan-3-one?
The IUPAC name of (4E)-4-(cyclopropylmethylidene)nonan-3-one (CID 25063160) is (4E)-4-(cyclopropylmethylidene)nonan-3-one.
What is the SMILES notation for (4E)-4-(cyclopropylmethylidene)nonan-3-one?
The canonical SMILES for (4E)-4-(cyclopropylmethylidene)nonan-3-one is CCCCC/C(=C\C1CC1)C(=O)CC.
What is the InChIKey of (4E)-4-(cyclopropylmethylidene)nonan-3-one?
The InChIKey is MVRJRRXLCKYUGB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C13H22O/c1-3-5-6-7-12(13(14)4-2)10-11-8-9-11/h10-11H,3-9H2,1-2H3/b12-10+.
What are the key properties of (4E)-4-(cyclopropylmethylidene)nonan-3-one?
(4E)-4-(cyclopropylmethylidene)nonan-3-one has a molecular weight of 194.32 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(cyclopropylmethylidene)nonan-3-one is sourced from PubChem (CID 25063160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).