(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide

C11H17Cl2NO2 — CID 7346762

IUPAC(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)[C@@H]1CCCO1
InChIInChI=1S/C11H17Cl2NO2/c1-7(8-4-3-5-16-8)14-9(15)10(2)6-11(10,12)13/h7-8H,3-6H2,1-2H3,(H,14,15)/t7-,8-,10-/m0/s1
InChIKeyPPLAIDAIRDXTTH-NRPADANISA-N
MW266.17 g/mol
LogP2.25
Rot. Bonds3

About (1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide

(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 7346762) has the molecular formula C11H17Cl2NO2 and a molecular weight of 266.17 g/mol. Its IUPAC name is (1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID7346762
Molecular FormulaC11H17Cl2NO2
Molecular Weight266.17 g/mol
Exact Mass265.06
IUPAC Name(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)[C@@H]1CCCO1
InChIInChI=1S/C11H17Cl2NO2/c1-7(8-4-3-5-16-8)14-9(15)10(2)6-11(10,12)13/h7-8H,3-6H2,1-2H3,(H,14,15)/t7-,8-,10-/m0/s1
InChIKeyPPLAIDAIRDXTTH-NRPADANISA-N
XLogP2.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(oxolan-2-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096067
1-carbamothioyl-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80589003
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728554
3-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119944639
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
(E)-4-oxo-4-[1-(oxolan-2-yl)ethylamino]but-2-enoic acid
CID 43533859
2-hydroxy-2-methyl-N-[1-(oxolan-2-yl)ethyl]propanamide
CID 104936605
1-(N'-hydroxycarbamimidoyl)-N-[1-(oxolan-2-yl)ethyl]cycloheptane-1-carboxamide
CID 76919474
(1R)-2,2-dichloro-1-methyl-N-[(2S)-oxan-2-yl]oxycyclopropane-1-carboxamide
CID 94820955
3-ethyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55164169
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide (CID 7346762) is (1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)[C@@H]1CCCO1.
What is the InChIKey of (1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is PPLAIDAIRDXTTH-NRPADANISA-N. The full InChI is InChI=1S/C11H17Cl2NO2/c1-7(8-4-3-5-16-8)14-9(15)10(2)6-11(10,12)13/h7-8H,3-6H2,1-2H3,(H,14,15)/t7-,8-,10-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide?
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 266.17 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 7346762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).