(E)-4-pyrrolidin-1-ylhex-3-en-2-one

C10H17NO — CID 24977385

IUPAC(E)-4-pyrrolidin-1-ylhex-3-en-2-one
SMILESCC/C(=C\C(C)=O)N1CCCC1
InChIInChI=1S/C10H17NO/c1-3-10(8-9(2)12)11-6-4-5-7-11/h8H,3-7H2,1-2H3/b10-8+
InChIKeyRLVNYMGAPKRGHJ-CSKARUKUSA-N
MW167.25 g/mol
LogP1.97
Rot. Bonds3

About (E)-4-pyrrolidin-1-ylhex-3-en-2-one

(E)-4-pyrrolidin-1-ylhex-3-en-2-one (PubChem CID 24977385) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (E)-4-pyrrolidin-1-ylhex-3-en-2-one.

Molecular Properties

Compound Name(E)-4-pyrrolidin-1-ylhex-3-en-2-one
PubChem CID24977385
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(E)-4-pyrrolidin-1-ylhex-3-en-2-one
SMILESCC/C(=C\C(C)=O)N1CCCC1
InChIInChI=1S/C10H17NO/c1-3-10(8-9(2)12)11-6-4-5-7-11/h8H,3-7H2,1-2H3/b10-8+
InChIKeyRLVNYMGAPKRGHJ-CSKARUKUSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(e)-4-Dibutylamino-1,1,1-trifluoro-3-penten-2-one
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3-Penten-2-one,4-(1-pyrrolidinyl)-
CID 264801
(3E)-4-(1-pyrrolidinyl)-3-penten-2-one
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(1E)-1-(1-Methylpyrrolidin-2-ylidene)propan-2-one
CID 12758234
(E)-4-piperidin-1-ylpent-3-en-2-one
CID 11137514
(e)-1,1,1-Trichloro-4-pyrrolidin-1-yl-3-penten-2-one
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4-(Diethylamino)pent-3-en-2-one
CID 54152898
(1Z)-1-[1-(trimethylsilylmethyl)pyrrolidin-2-ylidene]butan-2-one
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1-Ethyl-2,6-dimethylpyridin-4-one
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(Z)-4-(diethylamino)pent-3-en-2-one
CID 88632597

Frequently Asked Questions

What is the IUPAC name of (E)-4-pyrrolidin-1-ylhex-3-en-2-one?
The IUPAC name of (E)-4-pyrrolidin-1-ylhex-3-en-2-one (CID 24977385) is (E)-4-pyrrolidin-1-ylhex-3-en-2-one.
What is the SMILES notation for (E)-4-pyrrolidin-1-ylhex-3-en-2-one?
The canonical SMILES for (E)-4-pyrrolidin-1-ylhex-3-en-2-one is CC/C(=C\C(C)=O)N1CCCC1.
What is the InChIKey of (E)-4-pyrrolidin-1-ylhex-3-en-2-one?
The InChIKey is RLVNYMGAPKRGHJ-CSKARUKUSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-10(8-9(2)12)11-6-4-5-7-11/h8H,3-7H2,1-2H3/b10-8+.
What are the key properties of (E)-4-pyrrolidin-1-ylhex-3-en-2-one?
(E)-4-pyrrolidin-1-ylhex-3-en-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-pyrrolidin-1-ylhex-3-en-2-one is sourced from PubChem (CID 24977385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).