(2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide

C10H18ClNO — CID 57377208

IUPAC(2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide
SMILESCC(C)[C@H](CC=CCl)C(=O)N(C)C
InChIInChI=1S/C10H18ClNO/c1-8(2)9(6-5-7-11)10(13)12(3)4/h5,7-9H,6H2,1-4H3/t9-/m0/s1
InChIKeyMFPMAEZQAUDONN-VIFPVBQESA-N
MW203.71 g/mol
LogP2.49
Rot. Bonds4

About (2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide

(2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide (PubChem CID 57377208) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is (2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide.

Molecular Properties

Compound Name(2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide
PubChem CID57377208
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name(2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide
SMILESCC(C)[C@H](CC=CCl)C(=O)N(C)C
InChIInChI=1S/C10H18ClNO/c1-8(2)9(6-5-7-11)10(13)12(3)4/h5,7-9H,6H2,1-4H3/t9-/m0/s1
InChIKeyMFPMAEZQAUDONN-VIFPVBQESA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide?
The IUPAC name of (2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide (CID 57377208) is (2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide.
What is the SMILES notation for (2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide?
The canonical SMILES for (2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide is CC(C)[C@H](CC=CCl)C(=O)N(C)C.
What is the InChIKey of (2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide?
The InChIKey is MFPMAEZQAUDONN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18ClNO/c1-8(2)9(6-5-7-11)10(13)12(3)4/h5,7-9H,6H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide?
(2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide has a molecular weight of 203.71 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-chloro-N,N-dimethyl-2-propan-2-ylpent-4-enamide is sourced from PubChem (CID 57377208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).