acetic acid;3-methyl-1-propylpyrrolidine

C10H21NO2 — CID 175874786

IUPACacetic acid;3-methyl-1-propylpyrrolidine
SMILESCC(=O)O.CCCN1CCC(C)C1
InChIInChI=1S/C8H17N.C2H4O2/c1-3-5-9-6-4-8(2)7-9;1-2(3)4/h8H,3-7H2,1-2H3;1H3,(H,3,4)
InChIKeyODAPCSZKYSTMKI-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds2

About acetic acid;3-methyl-1-propylpyrrolidine

acetic acid;3-methyl-1-propylpyrrolidine (PubChem CID 175874786) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is acetic acid;3-methyl-1-propylpyrrolidine.

Molecular Properties

Compound Nameacetic acid;3-methyl-1-propylpyrrolidine
PubChem CID175874786
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameacetic acid;3-methyl-1-propylpyrrolidine
SMILESCC(=O)O.CCCN1CCC(C)C1
InChIInChI=1S/C8H17N.C2H4O2/c1-3-5-9-6-4-8(2)7-9;1-2(3)4/h8H,3-7H2,1-2H3;1H3,(H,3,4)
InChIKeyODAPCSZKYSTMKI-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze acetic acid;3-methyl-1-propylpyrrolidine 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

ethane;3-methyl-1-propylpiperidine
CID 156729460
3-methyl-1-propylpiperidine;propane
CID 145147959
ethane;1-(1-propylpyrrolidin-3-yl)ethanone
CID 91068645
2-(3-methylpyrrolidin-1-yl)ethanol
CID 22706983
2,2-dimethyl-4-(3-methylpyrrolidin-1-yl)butanoic acid
CID 65248276
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
N-methyl-N-[(3S)-1-propylpyrrolidin-3-yl]acetamide
CID 178115715
2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 61225596
methanesulfonic acid;4-methyl-1-propylpiperidine
CID 175583558
1-hexyl-3-methylpyrrolidine;trifluoromethanesulfonic acid
CID 175874968
1-butyl-3-methylpyrrolidine;trifluoromethanesulfonic acid
CID 171932138
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-methyl-1-propylpyrrolidine?
The IUPAC name of acetic acid;3-methyl-1-propylpyrrolidine (CID 175874786) is acetic acid;3-methyl-1-propylpyrrolidine.
What is the SMILES notation for acetic acid;3-methyl-1-propylpyrrolidine?
The canonical SMILES for acetic acid;3-methyl-1-propylpyrrolidine is CC(=O)O.CCCN1CCC(C)C1.
What is the InChIKey of acetic acid;3-methyl-1-propylpyrrolidine?
The InChIKey is ODAPCSZKYSTMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C2H4O2/c1-3-5-9-6-4-8(2)7-9;1-2(3)4/h8H,3-7H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;3-methyl-1-propylpyrrolidine?
acetic acid;3-methyl-1-propylpyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-methyl-1-propylpyrrolidine is sourced from PubChem (CID 175874786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).