2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide

C10H17ClN2O — CID 130943724

IUPAC2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide
SMILESC=C(Cl)C(=O)NCC1CC(C)N(C)C1
InChIInChI=1S/C10H17ClN2O/c1-7-4-9(6-13(7)3)5-12-10(14)8(2)11/h7,9H,2,4-6H2,1,3H3,(H,12,14)
InChIKeyDZICYPXZJULYMH-UHFFFAOYSA-N
MW216.71 g/mol
LogP1.20
Rot. Bonds3

About 2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide

2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide (PubChem CID 130943724) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide
PubChem CID130943724
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide
SMILESC=C(Cl)C(=O)NCC1CC(C)N(C)C1
InChIInChI=1S/C10H17ClN2O/c1-7-4-9(6-13(7)3)5-12-10(14)8(2)11/h7,9H,2,4-6H2,1,3H3,(H,12,14)
InChIKeyDZICYPXZJULYMH-UHFFFAOYSA-N
XLogP1.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-3,3,3-trifluoropropanamide
CID 168939309
N-[(1,5-dimethylpyrrolidin-3-yl)methyl]-2-fluorocyclopentene-1-carboxamide
CID 171817580
(1,5-dimethylpyrrolidin-3-yl)methanol;ethane
CID 144977240
1-[4-[(1,5-dimethylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;ethane
CID 171817554
(2R)-4-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 67681529
1,3-bis[(1-benzyl-5-methylpyrrolidin-3-yl)methyl]urea
CID 166232254
N-[(3-bromocyclobutyl)methyl]-2-methylprop-2-enamide
CID 165438892
ethane;4-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 144977158
4-heptyl-1,2-dimethylpyrrolidine
CID 177227057
2-(1,2-dimethylpiperidin-4-yl)acetic acid
CID 57247526
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080
1-(1,2,5-trimethylpiperidin-4-yl)ethanone
CID 45086487

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide?
The IUPAC name of 2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide (CID 130943724) is 2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for 2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide?
The canonical SMILES for 2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide is C=C(Cl)C(=O)NCC1CC(C)N(C)C1.
What is the InChIKey of 2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide?
The InChIKey is DZICYPXZJULYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O/c1-7-4-9(6-13(7)3)5-12-10(14)8(2)11/h7,9H,2,4-6H2,1,3H3,(H,12,14).
What are the key properties of 2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide?
2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide has a molecular weight of 216.71 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,5-dimethylpyrrolidin-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 130943724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).