(4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone

C11H18ClNO — CID 130909233

IUPAC(4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CC(Cl)C(C)(C)C2)CC1
InChIInChI=1S/C11H18ClNO/c1-10(2)7-13(6-8(10)12)9(14)11(3)4-5-11/h8H,4-7H2,1-3H3
InChIKeyRVVSLOYLAKSWMI-UHFFFAOYSA-N
MW215.72 g/mol
LogP2.26
Rot. Bonds1

About (4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone

(4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone (PubChem CID 130909233) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone
PubChem CID130909233
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CC(Cl)C(C)(C)C2)CC1
InChIInChI=1S/C11H18ClNO/c1-10(2)7-13(6-8(10)12)9(14)11(3)4-5-11/h8H,4-7H2,1-3H3
InChIKeyRVVSLOYLAKSWMI-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(1-methylcyclopropyl)methanone
CID 130162770
(4-amino-3,3-dimethylpiperidin-1-yl)-(1-methylcyclopentyl)methanone
CID 120817727
(3-chloro-4-methylpiperidin-1-yl)-(1-methylcyclohexyl)methanone
CID 106829116
(1-methylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 166001479
(3-cyclopropyl-3-hydroxypyrrolidin-1-yl)-(1-methylcyclopropyl)methanone
CID 165447366
(4-aminopiperidin-1-yl)-(1-methylcyclopropyl)methanone;hydrochloride
CID 166001469
(3aS,6aR)-2-(1-methylcyclopentanecarbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682511
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1-methylcyclopropyl)methanone;hydrochloride
CID 119635654
(1-methylcyclopropyl)-(3-piperidin-4-yloxyazetidin-1-yl)methanone
CID 165450806
(4-methoxypiperazin-1-yl)-(1-methylcyclopropyl)methanone
CID 59857740
(1-methylcyclopropyl)-(4-methylidenepiperidin-1-yl)methanone
CID 126992987
(2,4-dimethylazetidin-1-yl)-(1-methylcyclopropyl)methanone
CID 130626381

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone?
The IUPAC name of (4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone (CID 130909233) is (4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone.
What is the SMILES notation for (4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone?
The canonical SMILES for (4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CC(Cl)C(C)(C)C2)CC1.
What is the InChIKey of (4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone?
The InChIKey is RVVSLOYLAKSWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO/c1-10(2)7-13(6-8(10)12)9(14)11(3)4-5-11/h8H,4-7H2,1-3H3.
What are the key properties of (4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone?
(4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone has a molecular weight of 215.72 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3,3-dimethylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 130909233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).