N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride

C15H29ClN2O — CID 11971595

IUPACN-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCC(C)=CCCC(C)N(C)C(=O)CN1CCCC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-13(2)8-7-9-14(3)16(4)15(18)12-17-10-5-6-11-17;/h8,14H,5-7,9-12H2,1-4H3;1H
InChIKeyPWTNBKVTSUGHGS-UHFFFAOYSA-N
MW288.86 g/mol
LogP3.10
Rot. Bonds6

About N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride

N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 11971595) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID11971595
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC NameN-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCC(C)=CCCC(C)N(C)C(=O)CN1CCCC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-13(2)8-7-9-14(3)16(4)15(18)12-17-10-5-6-11-17;/h8,14H,5-7,9-12H2,1-4H3;1H
InChIKeyPWTNBKVTSUGHGS-UHFFFAOYSA-N
XLogP3.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 11971595) is N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride is CC(C)=CCCC(C)N(C)C(=O)CN1CCCC1.Cl.
What is the InChIKey of N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is PWTNBKVTSUGHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-13(2)8-7-9-14(3)16(4)15(18)12-17-10-5-6-11-17;/h8,14H,5-7,9-12H2,1-4H3;1H.
What are the key properties of N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 11971595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).