1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone

C13H24N2O — CID 115893962

IUPAC1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone
SMILESC=CCCC(CC)NC1CCN(C(C)=O)C1
InChIInChI=1S/C13H24N2O/c1-4-6-7-12(5-2)14-13-8-9-15(10-13)11(3)16/h4,12-14H,1,5-10H2,2-3H3
InChIKeyYRUQCCGGUILGTL-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.94
Rot. Bonds6

About 1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone

1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone (PubChem CID 115893962) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone
PubChem CID115893962
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone
SMILESC=CCCC(CC)NC1CCN(C(C)=O)C1
InChIInChI=1S/C13H24N2O/c1-4-6-7-12(5-2)14-13-8-9-15(10-13)11(3)16/h4,12-14H,1,5-10H2,2-3H3
InChIKeyYRUQCCGGUILGTL-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone
CID 115893969
N-hept-6-en-3-yl-1,1-dioxothiolan-3-amine
CID 115707649
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
1-[3-(heptan-2-ylamino)pyrrolidin-1-yl]ethanone
CID 115893971
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
methyl 3-(1-methoxybutan-2-ylamino)pyrrolidine-1-carboxylate
CID 115891994
N-(1-acetylpyrrolidin-3-yl)pentanamide
CID 110871326
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
1-[4-(2-but-3-enoxyethylamino)piperidin-1-yl]ethanone
CID 103854368
1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone
CID 43745923

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone (CID 115893962) is 1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone is C=CCCC(CC)NC1CCN(C(C)=O)C1.
What is the InChIKey of 1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is YRUQCCGGUILGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-6-7-12(5-2)14-13-8-9-15(10-13)11(3)16/h4,12-14H,1,5-10H2,2-3H3.
What are the key properties of 1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone?
1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 115893962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).