ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine

C13H28N2O2 — CID 142311750

IUPACethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine
SMILESC=C(CCC)N1CCCC1.CC.COC(N)=O
InChIInChI=1S/C9H17N.C2H5NO2.C2H6/c1-3-6-9(2)10-7-4-5-8-10;1-5-2(3)4;1-2/h2-8H2,1H3;1H3,(H2,3,4);1-2H3
InChIKeyYWXDIDWGADWKTI-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.13
Rot. Bonds3

About ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine

ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine (PubChem CID 142311750) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine
PubChem CID142311750
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine
SMILESC=C(CCC)N1CCCC1.CC.COC(N)=O
InChIInChI=1S/C9H17N.C2H5NO2.C2H6/c1-3-6-9(2)10-7-4-5-8-10;1-5-2(3)4;1-2/h2-8H2,1H3;1H3,(H2,3,4);1-2H3
InChIKeyYWXDIDWGADWKTI-UHFFFAOYSA-N
XLogP3.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hex-1-en-2-ylpyrrolidine
CID 18511208
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
propyl azepane-1-carboxylate
CID 91585333
propyl 2-pyrrolidin-1-ylprop-2-enoate
CID 146541157
1-piperidin-1-ylhexane-1,3-dione
CID 101450737
(2-methoxy-2-oxoethyl) pyrrolidine-1-carboxylate
CID 118050079
ethane;pyrrolidine-1-carboxamide
CID 144643607
ethyl azetidine-1-carboxylate
CID 14088501
1-(5-methylhex-1-en-2-yl)pyrrolidine
CID 89307642
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493

Frequently Asked Questions

What is the IUPAC name of ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine?
The IUPAC name of ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine (CID 142311750) is ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine.
What is the SMILES notation for ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine?
The canonical SMILES for ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine is C=C(CCC)N1CCCC1.CC.COC(N)=O.
What is the InChIKey of ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine?
The InChIKey is YWXDIDWGADWKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H5NO2.C2H6/c1-3-6-9(2)10-7-4-5-8-10;1-5-2(3)4;1-2/h2-8H2,1H3;1H3,(H2,3,4);1-2H3.
What are the key properties of ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine?
ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine has a molecular weight of 244.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl carbamate;1-pent-1-en-2-ylpyrrolidine is sourced from PubChem (CID 142311750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).